Name: Name:2-{2-[(difluoromethyl)sulfanyl]-4-methyl-1,3-thiazol-5-yl}acetic acid
Brand: Angene
SKU: AG01BF8Z
Rating: 90 (10 reviews)

2-{2-[(difluoromethyl)sulfanyl]-4-methyl-1,3-thiazol-5-yl}acetic acid

CAS No.:

1094316-49-0

Catalog Number:

AG01BF8Z

Molecular Formula:

C7H7F2NO2S2

Molecular Weight:

239.2628

Catalog Number:

AG01BF8Z

Chemical Name:

2-{2-[(difluoromethyl)sulfanyl]-4-methyl-1,3-thiazol-5-yl}acetic acid

CAS Number:

1094316-49-0

Molecular Formula:

C7H7F2NO2S2

Molecular Weight:

239.2628

MDL Number:

MFCD11186370

IUPAC Name:

2-[2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetic acid

InChI:

InChI=1S/C7H7F2NO2S2/c1-3-4(2-5(11)12)13-7(10-3)14-6(8)9/h6H,2H2,1H3,(H,11,12)

InChI Key:

KIOGQJWHHOCQGP-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1sc(nc1C)SC(F)F

Complexity:

218

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.989g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.255g/mol

Monoisotopic Mass:

238.989g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6