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55021-77-7,MFCD09841013
Catalog No.:AA00D9ZV

55021-77-7 | 4-(METHYLTHIO)-1-BUTYLAMINE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
2 weeks  
$272.00   $190.00
- +
250mg
95%
2 weeks  
$500.00   $350.00
- +
1g
95%
2 weeks  
$1,369.00   $958.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00D9ZV
Chemical Name:
4-(METHYLTHIO)-1-BUTYLAMINE
CAS Number:
55021-77-7
Molecular Formula:
C5H13NS
Molecular Weight:
119.2284
MDL Number:
MFCD09841013
SMILES:
CSCCCCN
Properties
Properties
 
BP:
188-190°C  
Form:
Liquid  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
31.3  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.6  

Downstream Synthesis Route

[1]Vermeulen,Martijn;Zwanenburg,Binne;Chittenden,GordonJ.F.;Verhagen,Hans[EuropeanJournalofMedicinalChemistry,2003,vol.38,#7-8,p.729-737]

[2]D'Souza,ChristopherA.;Amin,Shantu;Desai,Dhimant[Journaloflabelledcompoundsandradiopharmaceuticals,2003,vol.46,#9,p.851-859]

[3]Moon,Joon-Kwan;Kim,Jun-Ran;Ahn,Young-Joon;Shibamoto,Takayuki[JournalofAgriculturalandFoodChemistry,2010,vol.58,#11,p.6672-6677]

[4]Hu,Kun;Qi,Yan-Jie;Zhao,Juan;Jiang,He-Fei;Chen,Xin;Ren,Jie[EuropeanJournalofMedicinalChemistry,2013,vol.64,p.529-539]

[5]CurrentPatentAssignee:AURIGAINTERNATIONAL-US2013/142739,2013,A1

[6]CurrentPatentAssignee:Rajski,ScottR.;Mays,JaredRae-US2013/116203,2013,A1

[1]Holland,HerbertL.;Brown,FrancesM.;Larsen,BrettG.;Zabic,Mirjana[TetrahedronAsymmetry,1995,vol.6,#7,p.1569-1574]

Literature
Quotation Request
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SDS
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Tags:55021-77-7 Molecular Formula|55021-77-7 MDL|55021-77-7 SMILES|55021-77-7 4-(METHYLTHIO)-1-BUTYLAMINE
Catalog No.: AA00D9ZV
55021-77-7,MFCD09841013
55021-77-7 | 4-(METHYLTHIO)-1-BUTYLAMINE
Pack Size： 100mg
Purity： 95%
2 weeks
$272.00 $190.00
Pack Size： 250mg
Purity： 95%
2 weeks
$500.00 $350.00
Pack Size： 1g
Purity： 95%
2 weeks
$1,369.00 $958.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00D9ZV
Chemical Name: 4-(METHYLTHIO)-1-BUTYLAMINE
CAS Number: 55021-77-7
Molecular Formula: C5H13NS
Molecular Weight: 119.2284
MDL Number: MFCD09841013
SMILES: CSCCCCN
Properties
BP: 188-190°C  
Form: Liquid  
Storage: -20 ℃;  
Complexity: 31.3  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.6  
Downstream Synthesis Route
55021-77-7    4478-93-7 

[1]Vermeulen,Martijn;Zwanenburg,Binne;Chittenden,GordonJ.F.;Verhagen,Hans[EuropeanJournalofMedicinalChemistry,2003,vol.38,#7-8,p.729-737]

[2]D'Souza,ChristopherA.;Amin,Shantu;Desai,Dhimant[Journaloflabelledcompoundsandradiopharmaceuticals,2003,vol.46,#9,p.851-859]

[3]Moon,Joon-Kwan;Kim,Jun-Ran;Ahn,Young-Joon;Shibamoto,Takayuki[JournalofAgriculturalandFoodChemistry,2010,vol.58,#11,p.6672-6677]

[4]Hu,Kun;Qi,Yan-Jie;Zhao,Juan;Jiang,He-Fei;Chen,Xin;Ren,Jie[EuropeanJournalofMedicinalChemistry,2013,vol.64,p.529-539]

[5]CurrentPatentAssignee:AURIGAINTERNATIONAL-US2013/142739,2013,A1

[6]CurrentPatentAssignee:Rajski,ScottR.;Mays,JaredRae-US2013/116203,2013,A1

55021-77-7    142825-10-3 

[1]Holland,HerbertL.;Brown,FrancesM.;Larsen,BrettG.;Zabic,Mirjana[TetrahedronAsymmetry,1995,vol.6,#7,p.1569-1574]

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