Name: Name:2-[(2,4-dimethylphenyl)sulfanyl]-2-phenylacetic acid
Brand: Angene
SKU: AG01AB6V
Rating: 90 (10 reviews)

2-[(2,4-dimethylphenyl)sulfanyl]-2-phenylacetic acid

CAS No.:

18626-51-2

Catalog Number:

AG01AB6V

Molecular Formula:

C16H16O2S

Molecular Weight:

272.3620

Catalog Number:

AG01AB6V

Chemical Name:

2-[(2,4-dimethylphenyl)sulfanyl]-2-phenylacetic acid

CAS Number:

18626-51-2

Molecular Formula:

C16H16O2S

Molecular Weight:

272.3620

MDL Number:

MFCD09715290

IUPAC Name:

2-(2,4-dimethylphenyl)sulfanyl-2-phenylacetic acid

InChI:

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

InChI Key:

UDDBXTSRNQGANI-UHFFFAOYSA-N

SMILES:

OC(=O)C(c1ccccc1)Sc1ccc(cc1C)C

Complexity:

299

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:

4.5