53514-41-3,MFCD00761153
Catalog No.:AA00DOAU

53514-41-3 | 1-Benzoyl-3-(2-hydroxyphenyl)thiourea

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$139.00   $97.00
- +
5g
98%
in stock  
$393.00   $275.00
- +
10g
98%
in stock  
$678.00   $475.00
- +
25g
98%
in stock  
$1,345.00 $942.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DOAU
Chemical Name:
1-Benzoyl-3-(2-hydroxyphenyl)thiourea
CAS Number:
53514-41-3
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
MDL Number:
MFCD00761153
SMILES:
S=C(Nc1ccccc1O)NC(=O)c1ccccc1
Properties
Computed Properties
 
Complexity:
329  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:NATIONALHEALTHRESEARCHINSTITUTES;UNIVERSITYOFMINNESOTASYSTEM-US2017/56377,2017,A1Locationinpatent:Paragraph0247;0248;0249

[2]Douglass;Dains[JournaloftheAmericanChemicalSociety,1934,vol.56,p.1408]

[3]Meissner,Anja;Boshoff,HelenaI.;Vasan,Mahalakshmi;Duckworth,BenjaminP.;BarryIII,CliftonE.;Aldrich,CourtneyC.[BioorganicandMedicinalChemistry,2013,vol.21,#21,p.6385-6397]

[4]Rödl,CarmenB.;Vogt,Dominik;Kretschmer,SimonB.M.;Ihlefeld,Katja;Barzen,Sebastian;Brüggerhoff,Astrid;Achenbach,Janosch;Proschak,Ewgenij;Steinhilber,Dieter;Stark,Holger;Hofmann,Bettina[EuropeanJournalofMedicinalChemistry,2014,vol.84,p.302-311]

[5]Vogt,Dominik;Weber,Julia;Ihlefeld,Katja;Brüggerhoff,Astrid;Proschak,Ewgenij;Stark,Holger[BioorganicandMedicinalChemistry,2014,vol.22,#19,p.5354-5367]

[1]CurrentPatentAssignee:NATIONALHEALTHRESEARCHINSTITUTES;UNIVERSITYOFMINNESOTASYSTEM-US2017/56377,2017,A1Locationinpatent:Paragraph0050;0244;0245;0246

[2]Hosten,EricC.;Lobb,Kevin;Odame,Felix;Tshentu,Zenixole[JournalofMolecularStructure,2020,vol.1216]

[3]Uher,Michal;Berkes,Dusan;Lesko,Jan;Floch,Lubomir[CollectionofCzechoslovakChemicalCommunications,1983,vol.48,#6,p.1651-1658]

[4]Choudhury,Diganta;Das,Rituraj;Kuilya,Hemrupa;Mahanta,SanjeevP.;Sarma,PlabanJ.;Talukdar,Dhrubajyoti;Thakuria,Ranjit[DaltonTransactions,2021,vol.50,#42,p.15287-15295]

[5]CurrentPatentAssignee:CENTRALCHINANORMALUNIVERSITY-CN107041374,2017,ALocationinpatent:Paragraph0036;0037;0038;0039;0040

[6]Douglass;Dains[JournaloftheAmericanChemicalSociety,1934,vol.56,p.1408]

[7]Wei,Taibao;Zhang,Youming[SyntheticCommunications,1998,vol.28,#15,p.2851-2859]

[8]Meissner,Anja;Boshoff,HelenaI.;Vasan,Mahalakshmi;Duckworth,BenjaminP.;BarryIII,CliftonE.;Aldrich,CourtneyC.[BioorganicandMedicinalChemistry,2013,vol.21,#21,p.6385-6397]

[9]Rödl,CarmenB.;Vogt,Dominik;Kretschmer,SimonB.M.;Ihlefeld,Katja;Barzen,Sebastian;Brüggerhoff,Astrid;Achenbach,Janosch;Proschak,Ewgenij;Steinhilber,Dieter;Stark,Holger;Hofmann,Bettina[EuropeanJournalofMedicinalChemistry,2014,vol.84,p.302-311]

[10]Vogt,Dominik;Weber,Julia;Ihlefeld,Katja;Brüggerhoff,Astrid;Proschak,Ewgenij;Stark,Holger[BioorganicandMedicinalChemistry,2014,vol.22,#19,p.5354-5367]

[11]Xiao,Shan;Wei,Lin;Hong,Zongqin;Rao,Li;Ren,Yanliang;Wan,Jian;Feng,Lingling[BioorganicandMedicinalChemistry,2019,vol.27,#5,p.805-812]

[1]Zhang;Wei;Gao[SyntheticCommunications,2001,vol.31,#20,p.3099-3105]

[1]Wei,Taibao;Zhang,Youming[SyntheticCommunications,1998,vol.28,#15,p.2851-2859]

53514-41-3   
N-(2-hydroxyphenyl)-4-(2-pyridinyl)-1,3-thiazol-2-amine 

[1]Meissner,Anja;Boshoff,HelenaI.;Vasan,Mahalakshmi;Duckworth,BenjaminP.;BarryIII,CliftonE.;Aldrich,CourtneyC.[BioorganicandMedicinalChemistry,2013,vol.21,#21,p.6385-6397]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:53514-41-3 Molecular Formula|53514-41-3 MDL|53514-41-3 SMILES|53514-41-3 1-Benzoyl-3-(2-hydroxyphenyl)thiourea
Catalog No.: AA00DOAU
53514-41-3,MFCD00761153
53514-41-3 | 1-Benzoyl-3-(2-hydroxyphenyl)thiourea
Pack Size: 1g
Purity: 98%
in stock
$139.00 $97.00
Pack Size: 5g
Purity: 98%
in stock
$393.00 $275.00
Pack Size: 10g
Purity: 98%
in stock
$678.00 $475.00
Pack Size: 25g
Purity: 98%
in stock
$1,345.00 $942.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DOAU
Chemical Name: 1-Benzoyl-3-(2-hydroxyphenyl)thiourea
CAS Number: 53514-41-3
Molecular Formula: C14H12N2O2S
Molecular Weight: 272.3223
MDL Number: MFCD00761153
SMILES: S=C(Nc1ccccc1O)NC(=O)c1ccccc1
Properties
Complexity: 329  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.2  
Downstream Synthesis Route
53514-41-3    1520-26-9 

[1]CurrentPatentAssignee:NATIONALHEALTHRESEARCHINSTITUTES;UNIVERSITYOFMINNESOTASYSTEM-US2017/56377,2017,A1Locationinpatent:Paragraph0247;0248;0249

[2]Douglass;Dains[JournaloftheAmericanChemicalSociety,1934,vol.56,p.1408]

[3]Meissner,Anja;Boshoff,HelenaI.;Vasan,Mahalakshmi;Duckworth,BenjaminP.;BarryIII,CliftonE.;Aldrich,CourtneyC.[BioorganicandMedicinalChemistry,2013,vol.21,#21,p.6385-6397]

[4]Rödl,CarmenB.;Vogt,Dominik;Kretschmer,SimonB.M.;Ihlefeld,Katja;Barzen,Sebastian;Brüggerhoff,Astrid;Achenbach,Janosch;Proschak,Ewgenij;Steinhilber,Dieter;Stark,Holger;Hofmann,Bettina[EuropeanJournalofMedicinalChemistry,2014,vol.84,p.302-311]

[5]Vogt,Dominik;Weber,Julia;Ihlefeld,Katja;Brüggerhoff,Astrid;Proschak,Ewgenij;Stark,Holger[BioorganicandMedicinalChemistry,2014,vol.22,#19,p.5354-5367]

95-55-6    532-55-8    53514-41-3 

[1]CurrentPatentAssignee:NATIONALHEALTHRESEARCHINSTITUTES;UNIVERSITYOFMINNESOTASYSTEM-US2017/56377,2017,A1Locationinpatent:Paragraph0050;0244;0245;0246

[2]Hosten,EricC.;Lobb,Kevin;Odame,Felix;Tshentu,Zenixole[JournalofMolecularStructure,2020,vol.1216]

[3]Uher,Michal;Berkes,Dusan;Lesko,Jan;Floch,Lubomir[CollectionofCzechoslovakChemicalCommunications,1983,vol.48,#6,p.1651-1658]

[4]Choudhury,Diganta;Das,Rituraj;Kuilya,Hemrupa;Mahanta,SanjeevP.;Sarma,PlabanJ.;Talukdar,Dhrubajyoti;Thakuria,Ranjit[DaltonTransactions,2021,vol.50,#42,p.15287-15295]

[5]CurrentPatentAssignee:CENTRALCHINANORMALUNIVERSITY-CN107041374,2017,ALocationinpatent:Paragraph0036;0037;0038;0039;0040

[6]Douglass;Dains[JournaloftheAmericanChemicalSociety,1934,vol.56,p.1408]

[7]Wei,Taibao;Zhang,Youming[SyntheticCommunications,1998,vol.28,#15,p.2851-2859]

[8]Meissner,Anja;Boshoff,HelenaI.;Vasan,Mahalakshmi;Duckworth,BenjaminP.;BarryIII,CliftonE.;Aldrich,CourtneyC.[BioorganicandMedicinalChemistry,2013,vol.21,#21,p.6385-6397]

[9]Rödl,CarmenB.;Vogt,Dominik;Kretschmer,SimonB.M.;Ihlefeld,Katja;Barzen,Sebastian;Brüggerhoff,Astrid;Achenbach,Janosch;Proschak,Ewgenij;Steinhilber,Dieter;Stark,Holger;Hofmann,Bettina[EuropeanJournalofMedicinalChemistry,2014,vol.84,p.302-311]

[10]Vogt,Dominik;Weber,Julia;Ihlefeld,Katja;Brüggerhoff,Astrid;Proschak,Ewgenij;Stark,Holger[BioorganicandMedicinalChemistry,2014,vol.22,#19,p.5354-5367]

[11]Xiao,Shan;Wei,Lin;Hong,Zongqin;Rao,Li;Ren,Yanliang;Wan,Jian;Feng,Lingling[BioorganicandMedicinalChemistry,2019,vol.27,#5,p.805-812]

1147550-11-5    98-88-4    95-55-6    53514-41-3 

[1]Zhang;Wei;Gao[SyntheticCommunications,2001,vol.31,#20,p.3099-3105]

98-88-4    53514-41-3 

[1]Wei,Taibao;Zhang,Youming[SyntheticCommunications,1998,vol.28,#15,p.2851-2859]

53514-41-3   
N-(2-hydroxyphenyl)-4-(2-pyridinyl)-1,3-thiazol-2-amine 

[1]Meissner,Anja;Boshoff,HelenaI.;Vasan,Mahalakshmi;Duckworth,BenjaminP.;BarryIII,CliftonE.;Aldrich,CourtneyC.[BioorganicandMedicinalChemistry,2013,vol.21,#21,p.6385-6397]

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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