200,000+ products from a single source!
sales@angenechem.com
19951-24-7 | Acetic acid, 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-
CAS No: 19951-24-7 Catalog No: AG002C5U MDL No:
Product Description
Catalog Number:
AG002C5U
Chemical Name:
Acetic acid, 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-
CAS Number:
19951-24-7
Molecular Formula:
C9H7N3O4S
Molecular Weight:
253.2346
IUPAC Name:
2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetic acid
InChI:
InChI=1S/C9H7N3O4S/c13-8(14)4-17-9-10-6-2-1-5(12(15)16)3-7(6)11-9/h1-3H,4H2,(H,10,11)(H,13,14)
InChI Key:
SMTHPGGRKWIUEJ-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1nc2c([nH]1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.232g/mol
Monoisotopic Mass:
253.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.