Name: Name:2-[(1-carbamoylethyl)sulfanyl]benzoic acid
Brand: Angene
SKU: AG01B7MG
Rating: 90 (10 reviews)

2-[(1-carbamoylethyl)sulfanyl]benzoic acid

CAS No.:

949240-61-3

Catalog Number:

AG01B7MG

Molecular Formula:

C10H11NO3S

Molecular Weight:

225.2642

Catalog Number:

AG01B7MG

Chemical Name:

2-[(1-carbamoylethyl)sulfanyl]benzoic acid

CAS Number:

949240-61-3

Molecular Formula:

C10H11NO3S

Molecular Weight:

225.2642

MDL Number:

MFCD10494425

IUPAC Name:

2-(1-amino-1-oxopropan-2-yl)sulfanylbenzoic acid

InChI:

InChI=1S/C10H11NO3S/c1-6(9(11)12)15-8-5-3-2-4-7(8)10(13)14/h2-6H,1H3,(H2,11,12)(H,13,14)

InChI Key:

INPZSIQXDTVYPY-UHFFFAOYSA-N

SMILES:

CC(C(=O)N)Sc1ccccc1C(=O)O

Complexity:

257

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.262g/mol

Monoisotopic Mass:

225.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3