200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 861346-39-6
861346-39-6 | 1H-Imidazole-5-sulfonicacid, 2-methyl-
CAS No: 861346-39-6 Catalog No: AG004TWN MDL No:
Product Description
Catalog Number:
AG004TWN
Chemical Name:
1H-Imidazole-5-sulfonicacid, 2-methyl-
CAS Number:
861346-39-6
Molecular Formula:
C4H6N2O3S
Molecular Weight:
162.1670
IUPAC Name:
2-methyl-1H-imidazole-5-sulfonic acid
InChI:
InChI=1S/C4H6N2O3S/c1-3-5-2-4(6-3)10(7,8)9/h2H,1H3,(H,5,6)(H,7,8,9)
InChI Key:
KBABESTUFQOTNV-UHFFFAOYSA-N
SMILES:
Cc1ncc([nH]1)S(=O)(=O)O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.163g/mol
Monoisotopic Mass:
162.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.