| CAS Number | 4153-74-6 |
| Catalog Number | AG018RWV(AGN-PC-0WBPY8) |
| Chemical Name | 2-(Chloromethyl)-5-ethoxy-1,3,4-thiadiazole |
| IUPAC Name | 2-(chloromethyl)-5-ethoxy-1,3,4-thiadiazole |
| InChI | InChI=1S/C5H7ClN2OS/c1-2-9-5-8-7-4(3-6)10-5/h2-3H2,1H3 |
| InChI Key | ZLAMXDCGUYPQJG-UHFFFAOYSA-N |
| MDL Number | MFCD12913054 |
| Molecular Formula | C5H7ClN2OS |
| Molecular Weight | 178.6399 |
| SMILES | CCOC1SC(CCl)=NN=1 |
| Synonyms | 2-(chloromethyl)-5-ethoxy-1,3,4-thiadiazole,
4153-74-6,
2-chloromethyl-5-ethoxy-[1,3,4]thiadiazole,
AC1Q384X,
SCHEMBL9269545,
CTK6G3467,
ZLAMXDCGUYPQJG-UHFFFAOYSA-N,
ZINC36379832,
AKOS026676719,
NE20629,
5-chloromethyl-2-ethoxy-1,3,4-thiadiazole,
EN300-52054,
F8881-3546,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.634g/mol |
| Monoisotopic Mass | 177.997g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number