| CAS Number | 882878-69-5 |
| Catalog Number | AG01DTB2(AGN-PC-0VKHQA) |
| Chemical Name | sodium (tert-butylcarbamothioyl)sulfanide |
| IUPAC Name | sodium;N-tert-butylcarbamodithioate |
| InChI | InChI=1S/C5H11NS2.Na/c1-5(2,3)6-4(7)8;/h1-3H3,(H2,6,7,8);/q;+1/p-1 |
| InChI Key | YYIMEZPPRUIAKG-UHFFFAOYSA-M |
| MDL Number | MFCD24612619 |
| Molecular Formula | C5H10NNaS2 |
| Molecular Weight | 171.2594 |
| SMILES | [Na+].CC(NC([S-])=S)(C)C |
| Synonyms | Sodium tert-butylcarbamodithioate,
882878-69-5,
Carbamodithioic acid, (1,1-dimethylethyl)-, monosodium salt,
|
| Complexity | 97.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.252g/mol |
| Monoisotopic Mass | 171.015g/mol |
| Rotatable Bond Count | 1 |
| 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