200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 20979-13-9
20979-13-9 | 1H-Imidazole-5-methanethiol
CAS No: 20979-13-9 Catalog No: AG002KFB MDL No:
Product Description
Catalog Number:
AG002KFB
Chemical Name:
1H-Imidazole-5-methanethiol
CAS Number:
20979-13-9
Molecular Formula:
C4H6N2S
Molecular Weight:
114.1688
IUPAC Name:
1H-imidazol-5-ylmethanethiol
InChI:
InChI=1S/C4H6N2S/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
InChI Key:
CUJKQNHBJRVCET-UHFFFAOYSA-N
SMILES:
SCc1cnc[nH]1
Properties
Complexity:
57.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.025g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
114.166g/mol
Monoisotopic Mass:
114.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.7A^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.