CAS 10002-29-6 | Acetic acid, 2-(2-pyridinylthio)- | CAS Number 10002-29-6

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10002-29-6 | Acetic acid, 2-(2-pyridinylthio)-

CAS No: 10002-29-6 Catalog No: AG0000BG MDL No:MFCD00276114

Product Description

Catalog Number:

AG0000BG

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

Complexity:

140

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

169.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

169.198g/mol

Monoisotopic Mass:

169.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
2-(2-Pyridylsulfan-yl)acetic acid.	Acta crystallographica. Section E, Structure reports online 20100101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501