| CAS Number | 195737-25-8 |
| Catalog Number | AG00BBDU(AGN-PC-00611G) |
| Chemical Name | 5-Chloro-1,3,4-thiadiazole-2-carbonitrile |
| IUPAC Name | 5-chloro-1,3,4-thiadiazole-2-carbonitrile |
| InChI | InChI=1S/C3ClN3S/c4-3-7-6-2(1-5)8-3 |
| InChI Key | CNSGTVFPDJGHOG-UHFFFAOYSA-N |
| MDL Number | MFCD18805206 |
| Molecular Formula | C3ClN3S |
| Molecular Weight | 145.5702 |
| SMILES | N#CC1=NN=C(Cl)S1 |
| Synonyms | 5-chloro-1,3,4-thiadiazole-2-carbonitrile,
195737-25-8,
SCHEMBL3320855,
CNSGTVFPDJGHOG-UHFFFAOYSA-N,
FCH997314,
ZINC39140426,
AX8277137,
5-chloro-[1,3,4]thiadiazole-2-carbonitrile,
1,3,4-Thiadiazole-2-carbonitrile, 5-chloro-,
CID11286542,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.564g/mol |
| Monoisotopic Mass | 144.95g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number