Home Other Building Blocks 1194-87-2
1194-87-2,MFCD00079617
Catalog No.:AA000IMM

1194-87-2 | (S)-3-Thienylglycine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
≥95%
in stock  
$129.00   $90.00
- +
250mg
97%
in stock  
$183.00   $128.00
- +
1g
≥ 98%
in stock  
$565.00   $396.00
- +
5g
≥ 98%
in stock  
$2,009.00   $1,406.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000IMM
Chemical Name:
(S)-3-Thienylglycine
CAS Number:
1194-87-2
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
MDL Number:
MFCD00079617
SMILES:
OC(=O)[C@H](c1cscc1)N
Properties
Computed Properties
 
Complexity:
140  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
-2  

Downstream Synthesis Route

[1]Patent:WO2009/50220,2009,A1.Locationinpatent:Page/Pagecolumn44-45

1194-87-2   
C6H7NOS 

[1]JournalofMedicinalChemistry,2014,vol.57,p.2136-2160

1194-87-2   
C13H22N2O2S 

[1]JournalofMedicinalChemistry,2014,vol.57,p.2136-2160

[1]JournalofMedicinalChemistry,2014,vol.57,p.2136-2160

[1]JournalofMedicinalChemistry,2014,vol.57,p.2136-2160

Literature

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

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SDS
Tags:1194-87-2 Molecular Formula|1194-87-2 MDL|1194-87-2 SMILES|1194-87-2 (S)-3-Thienylglycine