200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 138250-02-9
138250-02-9 | 1H-Imidazole-1-butanesulfonic acid, 2-methyl-
CAS No: 138250-02-9 Catalog No: AG0018ED MDL No:
Product Description
Catalog Number:
AG0018ED
Chemical Name:
1H-Imidazole-1-butanesulfonic acid, 2-methyl-
CAS Number:
138250-02-9
Molecular Formula:
C8H14N2O3S
Molecular Weight:
218.2734
IUPAC Name:
4-(2-methylimidazol-1-yl)butane-1-sulfonic acid
InChI:
InChI=1S/C8H14N2O3S/c1-8-9-4-6-10(8)5-2-3-7-14(11,12)13/h4,6H,2-3,5,7H2,1H3,(H,11,12,13)
InChI Key:
VUADLCHNSSNMRG-UHFFFAOYSA-N
SMILES:
Cc1nccn1CCCCS(=O)(=O)O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.271g/mol
Monoisotopic Mass:
218.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.