| CAS Number | 66464-83-3 |
| Catalog Number | AG00FXRU(AGN-PC-002Q49) |
| Chemical Name | 5-Cyclopropyl-1,3,4-thiadiazole-2-thiol |
| IUPAC Name | 5-cyclopropyl-3H-1,3,4-thiadiazole-2-thione |
| InChI | InChI=1S/C5H6N2S2/c8-5-7-6-4(9-5)3-1-2-3/h3H,1-2H2,(H,7,8) |
| InChI Key | QYZVMNRXWUVKNE-UHFFFAOYSA-N |
| MDL Number | MFCD21602526 |
| Molecular Formula | C5H6N2S2 |
| Molecular Weight | 158.2445 |
| SMILES | SC1SC(C2CC2)=NN=1 |
| Synonyms | 5-cyclopropyl-1,3,4-thiadiazole-2-thiol,
66464-83-3,
SCHEMBL7017932,
SCHEMBL9852494,
ZINC34382126,
AKOS023362340,
NE22637,
1,3,4-Thiadiazole-2(3H)-thione, 5-cyclopropyl-,
1,3,4-Thiadiazole-2 -thione,5-cyclopropyl-,
1,3,4-Thiadiazole-2(3H)-thione, 5-cyclopropyl-,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.237g/mol |
| Monoisotopic Mass | 157.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number