| CAS Number | 1950-25-0 |
| Catalog Number | AG01EHRO(AGN-PC-0QNCDD) |
| Chemical Name | potassium (benzylcarbamothioyl)sulfanide |
| IUPAC Name | potassium;N-benzylcarbamodithioate |
| InChI | InChI=1S/C8H9NS2.K/c10-8(11)9-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H2,9,10,11);/q;+1/p-1 |
| InChI Key | DCSJCMQQEYXBLG-UHFFFAOYSA-M |
| MDL Number | MFCD31629225 |
| Molecular Formula | C8H8KNS2 |
| Molecular Weight | 221.3841 |
| SMILES | [K+].[S-]C(NCC1=CC=CC=C1)=S |
| Synonyms | Benzyldithiocarbamic acid potassium salt,
potassium (benzylcarbamothioyl)sulfanide,
1950-25-0,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.377g/mol |
| Monoisotopic Mass | 220.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number