Name: Name:3-{[(2,5-dimethylphenyl)sulfanyl]methyl}benzoic acid
Brand: Angene
SKU: AG019PRE
Rating: 90 (10 reviews)

3-{[(2,5-dimethylphenyl)sulfanyl]methyl}benzoic acid

CAS No.:

938308-74-8

Catalog Number:

AG019PRE

Molecular Formula:

C16H16O2S

Molecular Weight:

272.3620

Catalog Number:

AG019PRE

Chemical Name:

3-{[(2,5-dimethylphenyl)sulfanyl]methyl}benzoic acid

CAS Number:

938308-74-8

Molecular Formula:

C16H16O2S

Molecular Weight:

272.3620

MDL Number:

MFCD09721591

IUPAC Name:

3-[(2,5-dimethylphenyl)sulfanylmethyl]benzoic acid

InChI:

InChI=1S/C16H16O2S/c1-11-6-7-12(2)15(8-11)19-10-13-4-3-5-14(9-13)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)

InChI Key:

FJVBFOSGILQUML-UHFFFAOYSA-N

SMILES:

Cc1ccc(c(c1)SCc1cccc(c1)C(=O)O)C

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

272.087g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

272.362g/mol

Monoisotopic Mass:

272.087g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2