| CAS Number | 1339251-10-3 |
| Catalog Number | AG01A0B1(AGN-PC-0WOBLC) |
| Chemical Name | 2-Chloro-5-(methoxymethyl)-1,3,4-thiadiazole |
| IUPAC Name | 2-chloro-5-(methoxymethyl)-1,3,4-thiadiazole |
| InChI | InChI=1S/C4H5ClN2OS/c1-8-2-3-6-7-4(5)9-3/h2H2,1H3 |
| InChI Key | CFDHRDUBZIULSV-UHFFFAOYSA-N |
| MDL Number | MFCD18344922 |
| Molecular Formula | C4H5ClN2OS |
| Molecular Weight | 164.6133 |
| SMILES | COCC1SC(Cl)=NN=1 |
| Synonyms | 2-chloro-5-(methoxymethyl)-1,3,4-thiadiazole,
1339251-10-3,
ZINC71051015,
AKOS012689846,
NE41534,
|
| Complexity | 94.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.607g/mol |
| Monoisotopic Mass | 163.981g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number