200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 855596-27-9
855596-27-9 | 1H-Imidazole-4-carbodithioic acid, (4-ethenylphenyl)methyl ester
CAS No: 855596-27-9 Catalog No: AG008HFW MDL No:
Product Description
Catalog Number:
AG008HFW
Chemical Name:
1H-Imidazole-4-carbodithioic acid, (4-ethenylphenyl)methyl ester
CAS Number:
855596-27-9
Molecular Formula:
C13H12N2S2
Molecular Weight:
260.3778
IUPAC Name:
(4-ethenylphenyl)methyl 1H-imidazole-5-carbodithioate
InChI:
InChI=1S/C13H12N2S2/c1-2-10-3-5-11(6-4-10)8-17-13(16)12-7-14-9-15-12/h2-7,9H,1,8H2,(H,14,15)
InChI Key:
FHNLIJHOPSYOJM-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1)CSC(=S)c1c[nH]cn1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.373g/mol
Monoisotopic Mass:
260.044g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.