200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 128183-94-8
128183-94-8 | Benzene, 1-nitro-4-[(2-phenylethenyl)thio]-
CAS No: 128183-94-8 Catalog No: AG000XUC MDL No:
Product Description
Catalog Number:
AG000XUC
Chemical Name:
Benzene, 1-nitro-4-[(2-phenylethenyl)thio]-
CAS Number:
128183-94-8
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
IUPAC Name:
1-nitro-4-(2-phenylethenylsulfanyl)benzene
InChI:
InChI=1S/C14H11NO2S/c16-15(17)13-6-8-14(9-7-13)18-11-10-12-4-2-1-3-5-12/h1-11H
InChI Key:
GUSCIMGPTLXFGN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)SC=Cc1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.