| CAS Number | 1803593-04-5 |
| Catalog Number | AG01AFYY |
| Chemical Name | 2-(methylsulfanyl)-5,6-dihydro-4H-1,3,4-thiadiazin-5-one |
| IUPAC Name | 2-methylsulfanyl-4H-1,3,4-thiadiazin-5-one |
| InChI | InChI=1S/C4H6N2OS2/c1-8-4-6-5-3(7)2-9-4/h2H2,1H3,(H,5,7) |
| InChI Key | KABZVQIVDWLIQU-UHFFFAOYSA-N |
| MDL Number | MFCD27980657 |
| Molecular Formula | C4H6N2OS2 |
| Molecular Weight | 162.2332 |
| SMILES | CSC1SCC(=O)NN=1 |
| Synonyms | 2-(methylsulfanyl)-5,6-dihydro-4H-1,3,4-thiadiazin-5-one,
1803593-04-5,
SCHEMBL11259575,
ZINC95946391,
AKOS033582142,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.225g/mol |
| Monoisotopic Mass | 161.992g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number