Name: Name:2-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)acetic acid
Brand: Angene
SKU: AG019JLG
Rating: 90 (10 reviews)

2-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)acetic acid

CAS No.:

412922-14-6

Catalog Number:

AG019JLG

Molecular Formula:

C10H10FNO3S

Molecular Weight:

243.2547

Catalog Number:

AG019JLG

Chemical Name:

2-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)acetic acid

CAS Number:

412922-14-6

Molecular Formula:

C10H10FNO3S

Molecular Weight:

243.2547

MDL Number:

MFCD00176242

IUPAC Name:

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid

InChI:

InChI=1S/C10H10FNO3S/c11-7-1-3-8(4-2-7)12-9(13)5-16-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)

InChI Key:

HCXVWZPKHSIFDX-UHFFFAOYSA-N

SMILES:

O=C(Nc1ccc(cc1)F)CSCC(=O)O

Complexity:

254

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.252g/mol

Monoisotopic Mass:

243.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5