3-cyclohexyl-4-[(E)-(2-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Basic information
- CAS
488724-42-1- Standard SMILES
Cc1ccccc1/C=N/n1c(C2CCCCC2)n[nH]c1=S- InChIKey
LASITQBYGMVJNV-GZTJUZNOSA-N- Molecular formula
- C16H20N4S
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.14086783
Names & identifiers
- Preferred name
- 3-cyclohexyl-4-[(E)-(2-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
- IUPAC
- 3-cyclohexyl-4-[(E)-(2-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Names & synonyms
MLS0011646253-cyclohexyl-4-[(E)-(2-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thioneSMR000539761488724-42-1CHEMBL3197782BDBM95427cid_6859249DTXSID001322683STL148217AKOS005747894AKOS030515743(E)-5-cyclohexyl-4-((2-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Show more names
3-cyclohexyl-4-[(E)-(2-methylbenzylidene)amino]-1H-1,2,4-triazole-5-thione5-cyclohexyl-4-{[(E)-(2-methylphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol5-Cyclohexyl-4-{(E)-[(2-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione5-cyclohexyl-4-{[(E)-(2-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
488724-42-1- PubChem CID
- 6859249
- DTXSID
DTXSID001322683- ChEMBL
CHEMBL3197782
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 440
Experimental & physicochemical properties
Solubility0.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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