200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 88218-07-9
88218-07-9 | 1H-Benzimidazole, 2-[(butylthio)methyl]-4-nitro-
CAS No: 88218-07-9 Catalog No: AG008BC3 MDL No:
Product Description
Catalog Number:
AG008BC3
Chemical Name:
1H-Benzimidazole, 2-[(butylthio)methyl]-4-nitro-
CAS Number:
88218-07-9
Molecular Formula:
C12H15N3O2S
Molecular Weight:
265.3314
IUPAC Name:
2-(butylsulfanylmethyl)-4-nitro-1H-benzimidazole
InChI:
InChI=1S/C12H15N3O2S/c1-2-3-7-18-8-11-13-9-5-4-6-10(15(16)17)12(9)14-11/h4-6H,2-3,7-8H2,1H3,(H,13,14)
InChI Key:
WZLDOTFGTCLEJD-UHFFFAOYSA-N
SMILES:
CCCCSCc1nc2c([nH]1)cccc2[N+](=O)[O-]
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.331g/mol
Monoisotopic Mass:
265.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.