| CAS Number | 854137-73-8 |
| Catalog Number | AG019M4D |
| Chemical Name | 4-cyclopropyl-5-methyl-4H-1,2,4-triazole-3-thiol |
| IUPAC Name | 4-cyclopropyl-3-methyl-1H-1,2,4-triazole-5-thione |
| InChI | InChI=1S/C6H9N3S/c1-4-7-8-6(10)9(4)5-2-3-5/h5H,2-3H2,1H3,(H,8,10) |
| InChI Key | KJVFLHXDFPUMSN-UHFFFAOYSA-N |
| MDL Number | MFCD07313348 |
| Molecular Formula | C6H9N3S |
| Molecular Weight | 155.2208 |
| SMILES | CC1N(C2CC2)C(S)=NN=1 |
| Synonyms | 4-cyclopropyl-5-methyl-4H-1,2,4-triazole-3-thiol,
854137-73-8,
AC1NLQT0,
AC1Q2PYF,
CTK6C4890,
CTK8F5883,
ZINC4206822,
AKOS009013144,
MCULE-2213884851,
NE49924,
EN300-13630,
4-cyclopropyl-3-methyl-1H-1,2,4-triazole-5-thione,
Z90668291,
ZINC04206822,
CID4962551,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.219g/mol |
| Monoisotopic Mass | 155.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number