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10002-29-6,MFCD00276114
Catalog No.:AA00008O
Acetic acid, 2-(2-pyridinylthio)- | 10002-29-6
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00008O
Chemical Name:
Acetic acid, 2-(2-pyridinylthio)-
CAS Number:
10002-29-6
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD00276114
IUPAC Name:
2-pyridin-2-ylsulfanylacetic acid
InChI:
InChI=1S/C7H7NO2S/c9-7(10)5-11-6-3-1-2-4-8-6/h1-4H,5H2,(H,9,10)
InChI Key:
IGJFLPNTKLFHMW-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1ccccn1
Properties
Computed Properties
 
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
10002-29-6 
(Pyridin-2-ylsulfanyl)-acetic acid 
BAS 00665619 
SMR000009363 
AC1LCR2C 
Maybridge1_001471 
SCHEMBL437152 
cid_654661 
2-(2-pyridinylthio)acetic acid 
CHEMBL1574193 
(2-pyridinylsulfanyl)acetic acid 
BDBM48529 
(pyridin-2-ylthio)acetic acid 
CTK0G9160 
HMS545K19 
KS-00003KJP 
ZINC90808 
DTXSID30349595 
Acetic acid, (2-pyridinylthio)- 
IGJFLPNTKLFHMW-UHFFFAOYSA-N 
HMS2280P24 
2-pyridin-2-ylsulfanylethanoic acid 
ALBB-000234 
2-(Pyridin-2-ylthio)acetic acid 
2-(pyridin-2-ylsulfanyl)acetic acid 
7051AC 
MFCD00276114 
SBB010505 
STK353625 
AKOS000140677 
AM90397 
FS-1892 
MCULE-3224679092 
AJ-10849 
(pyridin-2-ylsulfanyl)acetic acid 
(2-Pyridinylsulfanyl)acetic acid AldrichCPR 
AB0152808 
ST2401796 
TR-033736 
BB 0240440 
FT-0676627 
ST45115441 
(2-Pyridinylsulfanyl)acetic acid, AldrichCPR 
W-6773 
AE-641/00692009 
2-pyridin-2-ylsulfanylacetic acid 
I04-5436 
C7H7NO2S 
CID654661 
N/A 
2-(2-pyridylthio)acetic acid 
MLS000032562 
(2-pyridylthio)acetic acid 
Acetic acid, 2-(2-pyridinylthio)- 
Literature

Title: 2-(2-Pyridylsulfan-yl)acetic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20100101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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