200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 155957-44-1
155957-44-1 | 2(1H)-Pyrimidinethione, 6-(4-nitrophenyl)-
CAS No: 155957-44-1 Catalog No: AG001ODP MDL No:
Product Description
Catalog Number:
AG001ODP
Chemical Name:
2(1H)-Pyrimidinethione, 6-(4-nitrophenyl)-
CAS Number:
155957-44-1
Molecular Formula:
C10H7N3O2S
Molecular Weight:
233.2465
IUPAC Name:
6-(4-nitrophenyl)-1H-pyrimidine-2-thione
InChI:
InChI=1S/C10H7N3O2S/c14-13(15)8-3-1-7(2-4-8)9-5-6-11-10(16)12-9/h1-6H,(H,11,12,16)
InChI Key:
NUDDNAROSYKUJL-UHFFFAOYSA-N
SMILES:
S=c1nccc([nH]1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.026g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.245g/mol
Monoisotopic Mass:
233.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.