200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 88740-40-3
88740-40-3 | 1H-Imidazole-4-carbodithioic acid, 2-propenyl ester
CAS No: 88740-40-3 Catalog No: AG004CSJ MDL No:
Product Description
Catalog Number:
AG004CSJ
Chemical Name:
1H-Imidazole-4-carbodithioic acid, 2-propenyl ester
CAS Number:
88740-40-3
Molecular Formula:
C7H8N2S2
Molecular Weight:
184.2818
IUPAC Name:
prop-2-enyl 1H-imidazole-5-carbodithioate
InChI:
InChI=1S/C7H8N2S2/c1-2-3-11-7(10)6-4-8-5-9-6/h2,4-5H,1,3H2,(H,8,9)
InChI Key:
DNVNJEKBTUPKDC-UHFFFAOYSA-N
SMILES:
C=CCSC(=S)c1c[nH]cn1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.275g/mol
Monoisotopic Mass:
184.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
© 2019 Angene International Limited. All rights Reserved.