| CAS Number | 36757-53-6 |
| Catalog Number | AG00CM40 |
| Chemical Name | 2-CHLORO-5-(METHYLTHIO)-1,3,4-THIADIAZOLE |
| IUPAC Name | 2-chloro-5-methylsulfanyl-1,3,4-thiadiazole |
| InChI | InChI=1S/C3H3ClN2S2/c1-7-3-6-5-2(4)8-3/h1H3 |
| InChI Key | OWUIGBYCAOWIRE-UHFFFAOYSA-N |
| MDL Number | MFCD30183561 |
| Molecular Formula | C3H3ClN2S2 |
| Molecular Weight | 166.6523 |
| SMILES | CSC1=NN=C(Cl)S1 |
| Synonyms | 36757-53-6,
2-chloro-5-methylsulfanyl-1,3,4-thiadiazole,
2-Chloro-5-(methylthio)-1,3,4-thiadiazole,
SCHEMBL8363822,
CTK1B6103,
DTXSID60544733,
MFCD30183561,
AKOS030616596,
CS-0061683,
1,3,4-Thiadiazole, 2-chloro-5-(methylthio)-,
2-Chloro-5-(methylsulfanyl)-1,3,4-thiadiazole,
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| Complexity | 81.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.943g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.641g/mol |
| Monoisotopic Mass | 165.943g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 79.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number