200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 89273-00-7
89273-00-7 | 1H-Imidazole-4-carbodithioic acid, phenylmethyl ester
CAS No: 89273-00-7 Catalog No: AG0087GX MDL No:
Product Description
Catalog Number:
AG0087GX
Chemical Name:
1H-Imidazole-4-carbodithioic acid, phenylmethyl ester
CAS Number:
89273-00-7
Molecular Formula:
C11H10N2S2
Molecular Weight:
234.3405
IUPAC Name:
benzyl 1H-imidazole-5-carbodithioate
InChI:
InChI=1S/C11H10N2S2/c14-11(10-6-12-8-13-10)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,12,13)
InChI Key:
BPDHRFNPJRKXGF-UHFFFAOYSA-N
SMILES:
S=C(c1c[nH]cn1)SCc1ccccc1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.029g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.335g/mol
Monoisotopic Mass:
234.029g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.