Name: Name:5-([2-(Trifluoromethyl)phenyl]amino)-1,3,4-thiadiazole-2-thiol
Brand: Angene
SKU: AG00IDLO
Rating: 90 (10 reviews)

5-([2-(Trifluoromethyl)phenyl]amino)-1,3,4-thiadiazole-2-thiol

CAS No.:

852399-74-7

Catalog Number:

AG00IDLO

Molecular Formula:

C9H6F3N3S2

Molecular Weight:

277.2892

Catalog Number:

AG00IDLO

Chemical Name:

5-([2-(Trifluoromethyl)phenyl]amino)-1,3,4-thiadiazole-2-thiol

CAS Number:

852399-74-7

Molecular Formula:

C9H6F3N3S2

Molecular Weight:

277.2892

MDL Number:

MFCD06655523

IUPAC Name:

5-[2-(trifluoromethyl)anilino]-3H-1,3,4-thiadiazole-2-thione

InChI:

InChI=1S/C9H6F3N3S2/c10-9(11,12)5-3-1-2-4-6(5)13-7-14-15-8(16)17-7/h1-4H,(H,13,14)(H,15,16)

InChI Key:

JMJNLAOCMSYKAE-UHFFFAOYSA-N

SMILES:

Sc1nnc(s1)Nc1ccccc1C(F)(F)F

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

276.996g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

277.283g/mol

Monoisotopic Mass:

276.996g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2