| CAS Number | 7709-83-3 |
| Catalog Number | AG01FF81(AGN-PC-3H4A4I) |
| Chemical Name | Benzene-1,2-bis(carbothioamide) |
| IUPAC Name | benzene-1,2-dicarbothioamide |
| InChI | InChI=1S/C8H8N2S2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,(H2,9,11)(H2,10,12) |
| InChI Key | RNZZFZUWWAYMDS-UHFFFAOYSA-N |
| MDL Number | MFCD16293897 |
| Molecular Formula | C8H8N2S2 |
| Molecular Weight | 196.2925 |
| SMILES | NC(=S)c1ccccc1C(=S)N |
| Synonyms | Benzene-1,2-dithiocarboxamide,
7709-83-3,
Benzene-1,2-bis(carbothioamide),
MFCD16293897,
SCHEMBL609919,
BENZENE-1,2-DICARBOTHIOAMIDE,
ZINC72284129,
AKOS027440303,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.286g/mol |
| Monoisotopic Mass | 196.013g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number