Name: Name:2-({[(propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid
Brand: Angene
SKU: AG019OZO
Rating: 90 (10 reviews)

2-({[(propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid

CAS No.:

793727-60-3

Catalog Number:

AG019OZO

Molecular Formula:

C12H15NO3S

Molecular Weight:

253.3174

Catalog Number:

AG019OZO

Chemical Name:

2-({[(propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid

CAS Number:

793727-60-3

Molecular Formula:

C12H15NO3S

Molecular Weight:

253.3174

MDL Number:

MFCD06364964

IUPAC Name:

2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoic acid

InChI:

InChI=1S/C12H15NO3S/c1-8(2)13-11(14)7-17-10-6-4-3-5-9(10)12(15)16/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)

InChI Key:

AUFOOQXJWXGQLB-UHFFFAOYSA-N

SMILES:

CC(NC(=O)CSc1ccccc1C(=O)O)C

Complexity:

281

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.316g/mol

Monoisotopic Mass:

253.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1