200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 788131-62-4
788131-62-4 | 1H-Imidazole-2-butanethioamide
CAS No: 788131-62-4 Catalog No: AG005PH9 MDL No:
Product Description
Catalog Number:
AG005PH9
Chemical Name:
1H-Imidazole-2-butanethioamide
CAS Number:
788131-62-4
Molecular Formula:
C7H11N3S
Molecular Weight:
169.2473
IUPAC Name:
4-(1H-imidazol-2-yl)butanethioamide
InChI:
InChI=1S/C7H11N3S/c8-6(11)2-1-3-7-9-4-5-10-7/h4-5H,1-3H2,(H2,8,11)(H,9,10)
InChI Key:
IZGMNLOJJQHJFL-UHFFFAOYSA-N
SMILES:
NC(=S)CCCc1ncc[nH]1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.246g/mol
Monoisotopic Mass:
169.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.