200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 88218-05-7
88218-05-7 | 1H-Benzimidazole, 4-nitro-2-[(phenylmethyl)thio]-
CAS No: 88218-05-7 Catalog No: AG008BC4 MDL No:
Product Description
Catalog Number:
AG008BC4
Chemical Name:
1H-Benzimidazole, 4-nitro-2-[(phenylmethyl)thio]-
CAS Number:
88218-05-7
Molecular Formula:
C14H11N3O2S
Molecular Weight:
285.3210
IUPAC Name:
2-benzylsulfanyl-4-nitro-1H-benzimidazole
InChI:
InChI=1S/C14H11N3O2S/c18-17(19)12-8-4-7-11-13(12)16-14(15-11)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)
InChI Key:
VTDWTKKPVJBJNZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1nc([nH]2)SCc1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.321g/mol
Monoisotopic Mass:
285.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.