| CAS Number | 1096306-89-6 |
| Catalog Number | AG01A31Y |
| Chemical Name | 5-methyl-4-(3-methylcyclohexyl)-4H-1,2,4-triazole-3-thiol |
| IUPAC Name | 3-methyl-4-(3-methylcyclohexyl)-1H-1,2,4-triazole-5-thione |
| InChI | InChI=1S/C10H17N3S/c1-7-4-3-5-9(6-7)13-8(2)11-12-10(13)14/h7,9H,3-6H2,1-2H3,(H,12,14) |
| InChI Key | JVCUKOSWNXMSJY-UHFFFAOYSA-N |
| MDL Number | MFCD12166493 |
| Molecular Formula | C10H17N3S |
| Molecular Weight | 211.3271 |
| SMILES | CC1CC(N2C(S)=NN=C2C)CCC1 |
| Synonyms | 5-methyl-4-(3-methylcyclohexyl)-4H-1,2,4-triazole-3-thiol,
1096306-89-6,
NE18335,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.327g/mol |
| Monoisotopic Mass | 211.114g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.7A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number