Name: Name:2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG019NYP
Rating: 90 (10 reviews)

2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid

CAS No.:

244006-15-3

Catalog Number:

AG019NYP

Molecular Formula:

C8H6F3NO2S

Molecular Weight:

237.1989

Catalog Number:

AG019NYP

Chemical Name:

2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid

CAS Number:

244006-15-3

Molecular Formula:

C8H6F3NO2S

Molecular Weight:

237.1989

MDL Number:

MFCD00107949

IUPAC Name:

2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetic acid

InChI:

InChI=1S/C8H6F3NO2S/c9-8(10,11)5-1-2-6(12-3-5)15-4-7(13)14/h1-3H,4H2,(H,13,14)

InChI Key:

HLRZBKKLNAKHDT-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1ccc(cn1)C(F)(F)F

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.007g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.196g/mol

Monoisotopic Mass:

237.007g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2