| CAS Number | 40982-34-1 |
| Catalog Number | AG01BTOL(AGN-PC-0NIAD2) |
| Chemical Name | 5-(methylsulfanyl)-1,3-thiazole |
| IUPAC Name | 5-methylsulfanyl-1,3-thiazole |
| InChI | InChI=1S/C4H5NS2/c1-6-4-2-5-3-7-4/h2-3H,1H3 |
| InChI Key | ZWTDHPVYKALJKN-UHFFFAOYSA-N |
| MDL Number | MFCD26960070 |
| Molecular Formula | C4H5NS2 |
| Molecular Weight | 131.2192 |
| SMILES | CSC1SC=NC=1 |
| Synonyms | 5-(methylthio)Thiazole,
40982-34-1,
Thiazole, 5-(methylthio)-,
SCHEMBL3851990,
ZINC78102328,
FT-0733053,
N/A,
|
| Complexity | 57.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.211g/mol |
| Monoisotopic Mass | 130.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number