Name: Name:2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid
Brand: Angene
SKU: AG019NTJ
Rating: 90 (10 reviews)

2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid

CAS No.:

317324-72-4

Catalog Number:

AG019NTJ

Molecular Formula:

C11H12N2O2S

Molecular Weight:

236.2902

Catalog Number:

AG019NTJ

Chemical Name:

2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid

CAS Number:

317324-72-4

Molecular Formula:

C11H12N2O2S

Molecular Weight:

236.2902

MDL Number:

MFCD00559122

IUPAC Name:

2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetic acid

InChI:

InChI=1S/C11H12N2O2S/c1-6-7(2)9(4-12)11(13-8(6)3)16-5-10(14)15/h5H2,1-3H3,(H,14,15)

InChI Key:

QPCNBFPZOZJIHO-UHFFFAOYSA-N

SMILES:

N#Cc1c(SCC(=O)O)nc(c(c1C)C)C

Complexity:

312

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.289g/mol

Monoisotopic Mass:

236.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1