| CAS Number | 923112-78-1 |
| Catalog Number | AG00IH2S(AGN-PC-0WR4GT) |
| Chemical Name | 4-Cyclopropyl-5-isopropyl-4H-1,2,4-triazole-3-thiol |
| IUPAC Name | 4-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione |
| InChI | InChI=1S/C8H13N3S/c1-5(2)7-9-10-8(12)11(7)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,10,12) |
| InChI Key | RRGUIKMATRQJJC-UHFFFAOYSA-N |
| MDL Number | MFCD08444378 |
| Molecular Formula | C8H13N3S |
| Molecular Weight | 183.2739 |
| SMILES | CC(C1N(C2CC2)C(S)=NN=1)C |
| Synonyms | 4-cyclopropyl-5-isopropyl-4H-1,2,4-triazole-3-thiol,
923112-78-1,
4-cyclopropyl-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol,
AC1Q1OYL,
CTK6A6111,
MFCD08444378,
ZINC12505074,
AKOS009097978,
MCULE-7819151505,
NE51293,
EN300-25451,
AB00982661-01,
Z212045092,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.273g/mol |
| Monoisotopic Mass | 183.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number