| CAS Number | 669755-14-0 |
| Catalog Number | AG005RW3(AGN-PC-0WB3IK) |
| Chemical Name | 4-cyclopentyl-5-methyl-4H-1,2,4-triazole-3-thiol |
| IUPAC Name | 4-cyclopentyl-3-methyl-1H-1,2,4-triazole-5-thione |
| InChI | InChI=1S/C8H13N3S/c1-6-9-10-8(12)11(6)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,10,12) |
| InChI Key | WWFRRBFPSXAVIU-UHFFFAOYSA-N |
| MDL Number | MFCD21363591 |
| Molecular Formula | C8H13N3S |
| Molecular Weight | 183.2739 |
| SMILES | N1(C2CCCC2)C(C)=NN=C1S |
| Synonyms | 4-cyclopentyl-5-methyl-4H-1,2,4-triazole-3-thiol,
669755-14-0,
CTK5C5506,
DTXSID80589540,
ZINC6790219,
MFCD04057345,
STK444597,
AKOS003321454,
MCULE-5416299899,
AJ-56867,
ST50847917,
Y-1142,
4-cyclopentyl-5-methyl-1,2,4-triazole-3-thiol,
4-Cyclopentyl-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione,
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| Complexity | 231 |
| 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 | 1 |
| Topological Polar Surface Area | 59.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number