Name: Name:Benzenecarbothioamide, N-(4-methyl-3-nitrophenyl)-4-(trifluoromethyl)-
Brand: Angene
SKU: AG000OIH
Rating: 90 (10 reviews)

Benzenecarbothioamide, N-(4-methyl-3-nitrophenyl)-4-(trifluoromethyl)-

CAS No.:

1257095-63-8

Catalog Number:

AG000OIH

Molecular Formula:

C15H11F3N2O2S

Molecular Weight:

340.3202

Catalog Number:

AG000OIH

Chemical Name:

Benzenecarbothioamide, N-(4-methyl-3-nitrophenyl)-4-(trifluoromethyl)-

CAS Number:

1257095-63-8

Molecular Formula:

C15H11F3N2O2S

Molecular Weight:

340.3202

MDL Number:

MFCD27952654

IUPAC Name:

N-(4-methyl-3-nitrophenyl)-4-(trifluoromethyl)benzenecarbothioamide

InChI:

InChI=1S/C15H11F3N2O2S/c1-9-2-7-12(8-13(9)20(21)22)19-14(23)10-3-5-11(6-4-10)15(16,17)18/h2-8H,1H3,(H,19,23)

InChI Key:

VYPJSSWQUSLNKG-UHFFFAOYSA-N

SMILES:

S=C(c1ccc(cc1)C(F)(F)F)Nc1ccc(c(c1)[N+](=O)[O-])C

Complexity:

445

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

340.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

340.32g/mol

Monoisotopic Mass:

340.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4