200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1257095-53-6
1257095-53-6 | Benzenecarbothioamide, N-(2-methyl-4-nitrophenyl)-4-(trifluoromethyl)-
CAS No: 1257095-53-6 Catalog No: AG000OIJ MDL No:
Product Description
Catalog Number:
AG000OIJ
Chemical Name:
Benzenecarbothioamide, N-(2-methyl-4-nitrophenyl)-4-(trifluoromethyl)-
CAS Number:
1257095-53-6
Molecular Formula:
C15H11F3N2O2S
Molecular Weight:
340.3202
IUPAC Name:
N-(2-methyl-4-nitrophenyl)-4-(trifluoromethyl)benzenecarbothioamide
InChI:
InChI=1S/C15H11F3N2O2S/c1-9-8-12(20(21)22)6-7-13(9)19-14(23)10-2-4-11(5-3-10)15(16,17)18/h2-8H,1H3,(H,19,23)
InChI Key:
LZKGFAMYOKMXID-UHFFFAOYSA-N
SMILES:
S=C(c1ccc(cc1)C(F)(F)F)Nc1ccc(cc1C)[N+](=O)[O-]
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.049g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.32g/mol
Monoisotopic Mass:
340.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.