Name: Name:2-{2-[(methylsulfanyl)methyl]-1H-1,3-benzodiazol-1-yl}acetic acid
Brand: Angene
SKU: AG019OUM
Rating: 90 (10 reviews)

2-{2-[(methylsulfanyl)methyl]-1H-1,3-benzodiazol-1-yl}acetic acid

CAS No.:

874594-05-5

Catalog Number:

AG019OUM

Molecular Formula:

C11H12N2O2S

Molecular Weight:

236.2902

Catalog Number:

AG019OUM

Chemical Name:

2-{2-[(methylsulfanyl)methyl]-1H-1,3-benzodiazol-1-yl}acetic acid

CAS Number:

874594-05-5

Molecular Formula:

C11H12N2O2S

Molecular Weight:

236.2902

MDL Number:

MFCD07687995

IUPAC Name:

2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid

InChI:

InChI=1S/C11H12N2O2S/c1-16-7-10-12-8-4-2-3-5-9(8)13(10)6-11(14)15/h2-5H,6-7H2,1H3,(H,14,15)

InChI Key:

JGHLMVTUGGUWNM-UHFFFAOYSA-N

SMILES:

CSCc1nc2c(n1CC(=O)O)cccc2

Complexity:

262

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:

80.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6