5-cyclohexyl-4-ethyl-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
482650-81-7- Standard SMILES
CCn1c(C2CCCCC2)n[nH]c1=S- InChIKey
RKGIOAVPPNZOQR-UHFFFAOYSA-N- Molecular formula
- C10H17N3S
- Average molar mass
- 211.33 g/mol
- Monoisotopic mass
- 211.11431873
Names & identifiers
- Preferred name
- 5-cyclohexyl-4-ethyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-cyclohexyl-4-ethyl-1H-1,2,4-triazole-5-thione
- English name
- 3H-1,2,4-Triazole-3-thione,5-cyclohexyl-4-ethyl-2,4-dihydro-(9CI)
- Molecular formula
- C10H17N3S
- Molecular weight
- 211.33
Names & synonyms
5-cyclohexyl-4-ethyl-4H-1,2,4-triazole-3-thiol482650-81-75-Cyclohexyl-4-ethyl-4H-[1,2,4]triazole-3-thiol3-cyclohexyl-4-ethyl-1H-1,2,4-triazole-5-thioneMFCD022285145-cyclohexyl-4-ethyl-1,2,4-triazole-3-thiolDTXSID80357726ALBB-0033433H-1,2,4-Triazole-3-thione,5-cyclohexyl-4-ethyl-2,4-dihydro-(9CI)BBL017117SBB027681STK441258
Show more names
5-cyclohexyl-4-ethyl-2H-1,2,4-triazole-3-thione3H-1,2,4-Triazole-3-thione, 5-cyclohexyl-4-ethyl-2,4-dihydro-5-cyclohexyl-4-ethyl-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE)
AKOS000300258AKOS003937948VS-05865CS-0298294ST50261296EN300-782078AG-690/40752570F057209
Database identifiers
- CAS
482650-81-7- PubChem CID
- 865735
- DTXSID
DTXSID80357726
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 285.8 · 285.8±23.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 9.28 · 9.28±0.20(Predicted)
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Related reactions
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Compound notes
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