Name: Name:1-butyl-5-(trifluoromethyl)-1H-1,3-benzodiazole-2-thiol
Brand: Angene
SKU: AG019OKY
Rating: 90 (10 reviews)

1-butyl-5-(trifluoromethyl)-1H-1,3-benzodiazole-2-thiol

CAS No.:

872319-67-0

Catalog Number:

AG019OKY

Molecular Formula:

C12H13F3N2S

Molecular Weight:

274.3052

Catalog Number:

AG019OKY

Chemical Name:

1-butyl-5-(trifluoromethyl)-1H-1,3-benzodiazole-2-thiol

CAS Number:

872319-67-0

Molecular Formula:

C12H13F3N2S

Molecular Weight:

274.3052

MDL Number:

MFCD07339355

IUPAC Name:

3-butyl-6-(trifluoromethyl)-1H-benzimidazole-2-thione

InChI:

InChI=1S/C12H13F3N2S/c1-2-3-6-17-10-5-4-8(12(13,14)15)7-9(10)16-11(17)18/h4-5,7H,2-3,6H2,1H3,(H,16,18)

InChI Key:

NQUSORDPVAMVKK-UHFFFAOYSA-N

SMILES:

CCCCn1c(S)nc2c1ccc(c2)C(F)(F)F

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.305g/mol

Monoisotopic Mass:

274.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5