Name: Name:3-[(pyridin-2-ylmethyl)sulfanyl]propanoic acid
Brand: Angene
SKU: AG019VZ7
Rating: 90 (10 reviews)

3-[(pyridin-2-ylmethyl)sulfanyl]propanoic acid

CAS No.:

23909-07-1

Catalog Number:

AG019VZ7

Molecular Formula:

C9H11NO2S

Molecular Weight:

197.2541

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Product Description

Catalog Number:

AG019VZ7

Chemical Name:

3-[(pyridin-2-ylmethyl)sulfanyl]propanoic acid

CAS Number:

23909-07-1

Molecular Formula:

C9H11NO2S

Molecular Weight:

197.2541

MDL Number:

MFCD09939139

IUPAC Name:

3-(pyridin-2-ylmethylsulfanyl)propanoic acid

InChI:

InChI=1S/C9H11NO2S/c11-9(12)4-6-13-7-8-3-1-2-5-10-8/h1-3,5H,4,6-7H2,(H,11,12)

InChI Key:

KYLBQAZNQIHSNN-UHFFFAOYSA-N

SMILES:

OC(=O)CCSCc1ccccn1

Properties

Complexity:

164

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.252g/mol

Monoisotopic Mass:

197.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Investigation of the coordination interactions of S-(pyridin-2-ylmethyl)-L-cysteine ligands with M(CO)(3)(+) (M = Re, (99m)Tc).	Inorganic chemistry 20091116