Name: Name:2-{4-[(2-carbamoylethyl)sulfanyl]phenyl}acetic acid
Brand: Angene
SKU: AG01C1X9
Rating: 90 (10 reviews)

2-{4-[(2-carbamoylethyl)sulfanyl]phenyl}acetic acid

CAS No.:

1456695-08-1

Catalog Number:

AG01C1X9

Molecular Formula:

C11H13NO3S

Molecular Weight:

239.2908

Catalog Number:

AG01C1X9

Chemical Name:

2-{4-[(2-carbamoylethyl)sulfanyl]phenyl}acetic acid

CAS Number:

1456695-08-1

Molecular Formula:

C11H13NO3S

Molecular Weight:

239.2908

MDL Number:

MFCD20438475

IUPAC Name:

2-[4-(3-amino-3-oxopropyl)sulfanylphenyl]acetic acid

InChI:

InChI=1S/C11H13NO3S/c12-10(13)5-6-16-9-3-1-8(2-4-9)7-11(14)15/h1-4H,5-7H2,(H2,12,13)(H,14,15)

InChI Key:

BSCXMUAGWHABSC-UHFFFAOYSA-N

SMILES:

NC(=O)CCSc1ccc(cc1)CC(=O)O

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.289g/mol

Monoisotopic Mass:

239.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7