| CAS Number | 16311-47-0 |
| Catalog Number | AG01C4F4(AGN-PC-00P50S) |
| Chemical Name | 3-(Chloromethyl)-1,2,5-thiadiazole |
| IUPAC Name | 3-(chloromethyl)-1,2,5-thiadiazole |
| InChI | InChI=1S/C3H3ClN2S/c4-1-3-2-5-7-6-3/h2H,1H2 |
| InChI Key | VXDWULIDECASCQ-UHFFFAOYSA-N |
| MDL Number | MFCD19233211 |
| Molecular Formula | C3H3ClN2S |
| Molecular Weight | 134.5873 |
| SMILES | ClCC1=NSN=C1 |
| Synonyms | 3-(chloromethyl)-1,2,5-thiadiazole,
16311-47-0,
SCHEMBL5838536,
4-chloromethyl-2,1,3-thiadiazole,
ZINC34550508,
AKOS006382448,
|
| Complexity | 60.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.581g/mol |
| Monoisotopic Mass | 133.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number