5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
Basic information
- CAS
632292-09-2- Standard SMILES
Cc1ccc(-c2n[nH]c(=S)n2C)c(Cl)c1- InChIKey
KOLUGUSYZUHLIA-UHFFFAOYSA-N- Molecular formula
- C10H10ClN3S
- Average molar mass
- 239.73 g/mol
- Monoisotopic mass
- 239.0283962
Names & identifiers
- Preferred name
- 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
- IUPAC
- 3-(2-chloro-4-methylphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
- English name
- MFCD03768358
- Molecular formula
- C10H10ClN3S
- Molecular weight
- 239.72
Names & synonyms
632292-09-25-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thioneRefChem:2994075-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiolMFCD037683583-(2-chloro-4-methylphenyl)-4-methyl-1H-1,2,4-triazole-5-thione4H-1,2,4-triazole-3-thiol, 5-(2-chloro-4-methylphenyl)-4-methyl-DTXSID201144091ALBB-024071SBB071847STK663984AKOS001757256
Show more names
3H-1,2,4-Triazole-3-thione, 5-(2-chloro-4-methylphenyl)-2,4-dihydro-4-methyl-
LS-07737CS-0322767H343375-(2-chloro-4-methylphenyl)-4-methyl-1,2,4-triazole-3-thiol3-(2-chloro-4-methyl-phenyl)-4-methyl-1H-1,2,4-triazole-5-thione5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide5-(2-Chloro-4-methylphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
632292-09-2- PubChem CID
- 713090
- DTXSID
DTXSID201144091
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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