Name: Name:5-([4-(TRIFLUOROMETHYL)PHENYL]SULFANYL)-1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID
Brand: Angene
SKU: AG00BYR0
Rating: 90 (10 reviews)

5-([4-(TRIFLUOROMETHYL)PHENYL]SULFANYL)-1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID

CAS No.:

338982-07-3

Catalog Number:

AG00BYR0

Molecular Formula:

C10H5F3N2O2S2

Molecular Weight:

306.2841

Catalog Number:

AG00BYR0

Chemical Name:

5-([4-(TRIFLUOROMETHYL)PHENYL]SULFANYL)-1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID

CAS Number:

338982-07-3

Molecular Formula:

C10H5F3N2O2S2

Molecular Weight:

306.2841

MDL Number:

MFCD01936015

IUPAC Name:

5-[4-(trifluoromethyl)phenyl]sulfanylthiadiazole-4-carboxylic acid

InChI:

InChI=1S/C10H5F3N2O2S2/c11-10(12,13)5-1-3-6(4-2-5)18-9-7(8(16)17)14-15-19-9/h1-4H,(H,16,17)

InChI Key:

DOSWLXUTUFNTRD-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnsc1Sc1ccc(cc1)C(F)(F)F

Complexity:

335

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

305.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

306.277g/mol

Monoisotopic Mass:

305.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

117A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6