| CAS Number | 33120-75-1 |
| Catalog Number | AG01ACEO(AGN-PC-0KVKKY) |
| Chemical Name | 4-ethyl-1,3-thiazole-2(3h)-thione |
| IUPAC Name | 4-ethyl-3H-1,3-thiazole-2-thione |
| InChI | InChI=1S/C5H7NS2/c1-2-4-3-8-5(7)6-4/h3H,2H2,1H3,(H,6,7) |
| InChI Key | FORKADXOPFAOHL-UHFFFAOYSA-N |
| MDL Number | MFCD18430699 |
| Molecular Formula | C5H7NS2 |
| Molecular Weight | 145.2458 |
| NSC Number | 170609 |
| SMILES | CCC1NC(=S)SC=1 |
| Synonyms | 33120-75-1,
NSC170609,
4-ethyl-2,3-dihydro-1,3-thiazole-2-thione,
2(3H)-Thiazolethione, 4-ethyl-,
AC1MQSSF,
SCHEMBL2642954,
SCHEMBL12877790,
DTXSID60393147,
ZINC5599578,
4-ethyl-3H-1,3-thiazole-2-thione,
AKOS012260718,
4-ethyl-1,3-thiazole-2(3H)-thione,
NSC-170609,
4-ETHYL-1,3-THIAZOLE-2-THIOL,
CID3506967,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.238g/mol |
| Monoisotopic Mass | 145.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number