Name: Name:3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid
Brand: Angene
SKU: AG019NL1
Rating: 90 (10 reviews)

3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid

CAS No.:

397290-81-2

Catalog Number:

AG019NL1

Molecular Formula:

C12H15NO3S

Molecular Weight:

253.3174

Catalog Number:

AG019NL1

Chemical Name:

3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)propanoic acid

CAS Number:

397290-81-2

Molecular Formula:

C12H15NO3S

Molecular Weight:

253.3174

MDL Number:

MFCD06358666

IUPAC Name:

3-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoic acid

InChI:

InChI=1S/C12H15NO3S/c1-9-2-4-10(5-3-9)13-11(14)8-17-7-6-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)

InChI Key:

JMYWNUVCJQDPCX-UHFFFAOYSA-N

SMILES:

O=C(Nc1ccc(cc1)C)CSCCC(=O)O

Complexity:

263

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:

1.6