| CAS Number | 1011405-13-2 |
| Catalog Number | AG019IDZ |
| Chemical Name | Potassium 4-(5-sulfanyl-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-yl)benzoate |
| IUPAC Name | potassium;4-[2,5-bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoate |
| InChI | InChI=1S/C9H6N2O2S3.K/c12-7(13)5-1-3-6(4-2-5)11-9(15)16-8(14)10-11;/h1-4H,(H,10,14)(H,12,13);/q;+1/p-1 |
| InChI Key | GCRKLXMRVUNNLF-UHFFFAOYSA-M |
| MDL Number | MFCD26143587 |
| Molecular Formula | C9H5KN2O2S3 |
| Molecular Weight | 308.4415 |
| SMILES | [K+].[O-]C(C1=CC=C(N2C(=S)SC(S)=N2)C=C1)=O |
| Synonyms | potassium 4-(5-sulfanyl-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-yl)benzoate,
1011405-13-2,
potassium 4-(2,5-dithioxo-1,3,4-thiadiazolidin-3-yl)benzoate,
AC1Q1TVR,
CTK5I4901,
MCULE-7353606211,
NE20225,
EN300-06464,
potassium 4-(2,5-disulfanylidene-1,3,4-thiadiazolidin-3-yl)benzoate,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.429g/mol |
| Monoisotopic Mass | 307.915g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 145A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number