544-40-1,MFCD00009468
Catalog No.:AA003SS6

544-40-1 | Dibutyl sulfide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
98%
in stock  
$21.00   $15.00
- +
500g
98%
in stock  
$79.00   $56.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003SS6
Chemical Name:
Dibutyl sulfide
CAS Number:
544-40-1
Molecular Formula:
C8H18S
Molecular Weight:
146.2935
MDL Number:
MFCD00009468
SMILES:
CCCCSCCCC
NSC Number:
8460
FEMA Number:
2215
Properties
Properties
 
BP:
185.0°C  
Form:
Liquid  
MP:
−76 °C(lit.)  
Refractive Index:
n20/D 1.452(lit.)  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
37.8  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Salvatore,RalphNicholas;Smith,RobertA.;Nischwitz,AdamK.;Gavin,Terrence[TetrahedronLetters,2005,vol.46,#51,p.8931-8935]

[2]Petrosyan,V.A.;Niyazymbetov,M.E.;Konyushkin,L.D.;Litvinov,V.P.[Synthesis,1990,#9,p.841-842]

[3]Niyazymbetov,M.E.;Petrosyan,V.A.;Konyushkin,L.D.;Litvinov,V.P.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1990,vol.39,#7.2,p.1454-1457][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1990,#7,p.1605-1609]

[4]Petrosyan,V.A.;Niyazymbetov,M.E.;Konyushkin,L.D.;Litvinov,V.P.[Synthesis,1990,#9,p.841-842]

[5]Niyazymbetov,M.E.;Petrosyan,V.A.;Konyushkin,L.D.;Litvinov,V.P.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1990,vol.39,#7.2,p.1454-1457][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1990,#7,p.1605-1609]

[6]Moghaddam,FirouzMatloubi;DokhtTaimoory,SeyedehMaryam;Ismaili,Hossein;Bardajee,GhasemRezanejade[SyntheticCommunications,2006,vol.36,#23,p.3599-3607]

[7]Decker;Post[JournalofOrganicChemistry,1957,vol.22,p.145]

[8]Rajanikanth,B.;Ravindranath,B.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1984,vol.23,#11,p.1043-1045]

[9]Cainelli,Gianfranco;Contento,Michele;Manescalchi,Francesco;Plessi,Laura[GazzettaChimicaItaliana,1982,vol.112,#11/12,p.461-464]

[1]Czech,Bronislaw;Quici,Silvio;Regen,StevenL.[Synthesis,1980,#2,p.113]

[2]CurrentPatentAssignee:UNIVYICHUN-CN105218418,2016,ALocationinpatent:Paragraph0063;0064

[3]Ando,Wataru;Furuhata,Toshiya;Tsumaki,Hidetoshi;Sekiguchi,Akira[SyntheticCommunications,1982,vol.12,#8,p.627-632]

[4]Shiao,Min-Jen;Lai,Long-Li;Ku,Wei-Shan;Lin,Pen-Yuan;Hwu,JihRu[JournalofOrganicChemistry,1993,vol.58,#17,p.4742-4744]

[5]Mann;Purdie[JournaloftheChemicalSociety,1935,p.1557]Petrow[ZhurnalObshcheiKhimii,vol.9,p.1637][ChemischesZentralblatt,1940,vol.111,#I,p.1644]

[6]Cazianis,ConstantineT.;Screttas,ConstantinosG.[Tetrahedron,1983,vol.39,#1,p.165-168]

[7]Wang,Jian-Cheng;Ma,Jian-Ping;Liu,Qi-Kui;Hu,Yu-Hong;Dong,Yu-Bin[ChemicalCommunications,2016,vol.52,#43,p.6989-6992]

[1]Kline;Kraus[JournaloftheAmericanChemicalSociety,1947,vol.69,p.814]

[2]Paulsson,Helene;Hagfeldt,Anders;Kloo,Lars[JournalofPhysicalChemistryB,2003,vol.107,#49,p.13665-13670]

[1]MonatsheftefurChemie,1951,vol.82,p.970,974

[1]Hoffmannetal.[JournaloftheAmericanChemicalSociety,1957,vol.79,p.3424,3427]

[2]Hoffmann,F.W.;Simmons,T.C.;Beck,R.B.;Holler,H.V.;Katz,T.;Koshar,R.J.[JournaloftheAmericanChemicalSociety,1957,vol.79,p.3424-3429]

[3][GmelinHandbuchderAnorganischenChemie,GmelinHandbook:F:PerFHalOrg.2,1.3.6,page167-182]

Literature

Title: Electrons, photons, and force: quantitative single-molecule measurements from physics to biology.

Journal: ACS nano 20110222

Title: Gold and gold-iron modified zeolites--towards the adsorptive deodourisation.

Journal: Journal of hazardous materials 20100715

Title: Experimental and theoretical studies of the reaction of the OH radical with alkyl sulfides: 3. Kinetics and mechanism of the OH initiated oxidation of dimethyl, dipropyl, and dibutyl sulfides: reactivity trends in the alkyl sulfides and development of a predictive expression for the reaction of OH with DMS.

Journal: The journal of physical chemistry. A 20090618

Title: Rate of dibutylsulfide decomposition by ozonation and the O3/H2O2 advanced oxidation process.

Journal: Journal of hazardous materials 20090530

Title: A quantitative single-molecule study of thioether molecular rotors.

Journal: ACS nano 20081125

Title: Effect of temperature and initial dibutyl sulfide concentration in chloroform on its oxidation rate by ozone.

Journal: Journal of hazardous materials 20080915

Title: Dimethyl sulfide on Cu{111}: molecular self-assembly and submolecular resolution imaging.

Journal: ACS nano 20071201

Title: Adsorption, interaction, and manipulation of dibutyl sulfide on cu{111}.

Journal: ACS nano 20070801

Title: Identification of the reactive intermediates produced upon photolysis of p-azidoacetophenone and its tetrafluoro analogue in aqueous and organic solvents: implications for photoaffinity labeling.

Journal: Biochemistry 20070220

Title: Aquasonolysis of thioethers.

Journal: Ultrasonics sonochemistry 20060501

Title: Photochemical relationships in Sacoglossan polypropionates.

Journal: Journal of natural products 20050401

Title: Photo-oxidation of di-n-butylsulfide by various electron transfer sensitizers in oxygenated acetonitrile.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20050201

Title: Electron transfer and singlet oxygen mechanisms in the photooxygenation of dibutyl sulfide and thioanisole in MeCN sensitized by N-methylquinolinium tetrafluoborate and 9,10-dicyanoanthracene. The probable involvement of a thiadioxirane intermediate in electron transfer photooxygenations.

Journal: Journal of the American Chemical Society 20031231

Title: Volatile metabolites of higher plant crops as a photosynthesizing life support system component under temperature stress at different light intensities.

Journal: Advances in space research : the official journal of the Committee on Space Research (COSPAR) 20030101

Title: Oxidation of sulfides and disulfides under electron transfer or singlet oxygen photosensitization using soluble or grafted sensitizers.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20020501

Title: Stand-off tissue-based biosensors for the detection of chemical warfare agents using photosynthetic fluorescence induction.

Journal: Biosensors & bioelectronics 20010901

Title: Induction of histone acetylation in mouse erythroleukemia cells by some organosulfur compounds including allyl isothiocyanate.

Journal: International journal of cancer 20010615

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SDS
Tags:544-40-1 Molecular Formula|544-40-1 MDL|544-40-1 SMILES|544-40-1 Dibutyl sulfide
Catalog No.: AA003SS6
544-40-1,MFCD00009468
544-40-1 | Dibutyl sulfide
Pack Size: 25g
Purity: 98%
in stock
$21.00 $15.00
Pack Size: 500g
Purity: 98%
in stock
$79.00 $56.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003SS6
Chemical Name: Dibutyl sulfide
CAS Number: 544-40-1
Molecular Formula: C8H18S
Molecular Weight: 146.2935
MDL Number: MFCD00009468
SMILES: CCCCSCCCC
NSC Number: 8460
FEMA Number: 2215
Properties
BP: 185.0°C  
Form: Liquid  
MP: −76 °C(lit.)  
Refractive Index: n20/D 1.452(lit.)  
Storage: 2-8℃;  
Complexity: 37.8  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
109-65-9    109-79-5    544-40-1 

[1]Salvatore,RalphNicholas;Smith,RobertA.;Nischwitz,AdamK.;Gavin,Terrence[TetrahedronLetters,2005,vol.46,#51,p.8931-8935]

[2]Petrosyan,V.A.;Niyazymbetov,M.E.;Konyushkin,L.D.;Litvinov,V.P.[Synthesis,1990,#9,p.841-842]

[3]Niyazymbetov,M.E.;Petrosyan,V.A.;Konyushkin,L.D.;Litvinov,V.P.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1990,vol.39,#7.2,p.1454-1457][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1990,#7,p.1605-1609]

[4]Petrosyan,V.A.;Niyazymbetov,M.E.;Konyushkin,L.D.;Litvinov,V.P.[Synthesis,1990,#9,p.841-842]

[5]Niyazymbetov,M.E.;Petrosyan,V.A.;Konyushkin,L.D.;Litvinov,V.P.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1990,vol.39,#7.2,p.1454-1457][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1990,#7,p.1605-1609]

[6]Moghaddam,FirouzMatloubi;DokhtTaimoory,SeyedehMaryam;Ismaili,Hossein;Bardajee,GhasemRezanejade[SyntheticCommunications,2006,vol.36,#23,p.3599-3607]

[7]Decker;Post[JournalofOrganicChemistry,1957,vol.22,p.145]

[8]Rajanikanth,B.;Ravindranath,B.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1984,vol.23,#11,p.1043-1045]

[9]Cainelli,Gianfranco;Contento,Michele;Manescalchi,Francesco;Plessi,Laura[GazzettaChimicaItaliana,1982,vol.112,#11/12,p.461-464]

109-65-9    544-40-1 

[1]Czech,Bronislaw;Quici,Silvio;Regen,StevenL.[Synthesis,1980,#2,p.113]

[2]CurrentPatentAssignee:UNIVYICHUN-CN105218418,2016,ALocationinpatent:Paragraph0063;0064

[3]Ando,Wataru;Furuhata,Toshiya;Tsumaki,Hidetoshi;Sekiguchi,Akira[SyntheticCommunications,1982,vol.12,#8,p.627-632]

[4]Shiao,Min-Jen;Lai,Long-Li;Ku,Wei-Shan;Lin,Pen-Yuan;Hwu,JihRu[JournalofOrganicChemistry,1993,vol.58,#17,p.4742-4744]

[5]Mann;Purdie[JournaloftheChemicalSociety,1935,p.1557]Petrow[ZhurnalObshcheiKhimii,vol.9,p.1637][ChemischesZentralblatt,1940,vol.111,#I,p.1644]

[6]Cazianis,ConstantineT.;Screttas,ConstantinosG.[Tetrahedron,1983,vol.39,#1,p.165-168]

[7]Wang,Jian-Cheng;Ma,Jian-Ping;Liu,Qi-Kui;Hu,Yu-Hong;Dong,Yu-Bin[ChemicalCommunications,2016,vol.52,#43,p.6989-6992]

542-69-8    544-40-1    18146-62-8 

[1]Kline;Kraus[JournaloftheAmericanChemicalSociety,1947,vol.69,p.814]

[2]Paulsson,Helene;Hagfeldt,Anders;Kloo,Lars[JournalofPhysicalChemistryB,2003,vol.107,#49,p.13665-13670]

778-28-9    544-40-1 

[1]MonatsheftefurChemie,1951,vol.82,p.970,974

544-40-1    375-52-0 

[1]Hoffmannetal.[JournaloftheAmericanChemicalSociety,1957,vol.79,p.3424,3427]

[2]Hoffmann,F.W.;Simmons,T.C.;Beck,R.B.;Holler,H.V.;Katz,T.;Koshar,R.J.[JournaloftheAmericanChemicalSociety,1957,vol.79,p.3424-3429]

[3][GmelinHandbuchderAnorganischenChemie,GmelinHandbook:F:PerFHalOrg.2,1.3.6,page167-182]

Literature fold

Title: Electrons, photons, and force: quantitative single-molecule measurements from physics to biology.

Journal: ACS nano20110222

Title: Gold and gold-iron modified zeolites--towards the adsorptive deodourisation.

Journal: Journal of hazardous materials20100715

Title: Experimental and theoretical studies of the reaction of the OH radical with alkyl sulfides: 3. Kinetics and mechanism of the OH initiated oxidation of dimethyl, dipropyl, and dibutyl sulfides: reactivity trends in the alkyl sulfides and development of a predictive expression for the reaction of OH with DMS.

Journal: The journal of physical chemistry. A20090618

Title: Rate of dibutylsulfide decomposition by ozonation and the O3/H2O2 advanced oxidation process.

Journal: Journal of hazardous materials20090530

Title: A quantitative single-molecule study of thioether molecular rotors.

Journal: ACS nano20081125

Title: Effect of temperature and initial dibutyl sulfide concentration in chloroform on its oxidation rate by ozone.

Journal: Journal of hazardous materials20080915

Title: Dimethyl sulfide on Cu{111}: molecular self-assembly and submolecular resolution imaging.

Journal: ACS nano20071201

Title: Adsorption, interaction, and manipulation of dibutyl sulfide on cu{111}.

Journal: ACS nano20070801

Title: Identification of the reactive intermediates produced upon photolysis of p-azidoacetophenone and its tetrafluoro analogue in aqueous and organic solvents: implications for photoaffinity labeling.

Journal: Biochemistry20070220

Title: Aquasonolysis of thioethers.

Journal: Ultrasonics sonochemistry20060501

Title: Photochemical relationships in Sacoglossan polypropionates.

Journal: Journal of natural products20050401

Title: Photo-oxidation of di-n-butylsulfide by various electron transfer sensitizers in oxygenated acetonitrile.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology20050201

Title: Electron transfer and singlet oxygen mechanisms in the photooxygenation of dibutyl sulfide and thioanisole in MeCN sensitized by N-methylquinolinium tetrafluoborate and 9,10-dicyanoanthracene. The probable involvement of a thiadioxirane intermediate in electron transfer photooxygenations.

Journal: Journal of the American Chemical Society20031231

Title: Volatile metabolites of higher plant crops as a photosynthesizing life support system component under temperature stress at different light intensities.

Journal: Advances in space research : the official journal of the Committee on Space Research (COSPAR)20030101

Title: Oxidation of sulfides and disulfides under electron transfer or singlet oxygen photosensitization using soluble or grafted sensitizers.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology20020501

Title: Stand-off tissue-based biosensors for the detection of chemical warfare agents using photosynthetic fluorescence induction.

Journal: Biosensors & bioelectronics20010901

Title: Induction of histone acetylation in mouse erythroleukemia cells by some organosulfur compounds including allyl isothiocyanate.

Journal: International journal of cancer20010615

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