Phenol, 2-(4-(2-methylphenyl)-5-(2-propenylthio)-4H-1,2,4-triazol-3-yl)-
Basic information
- CAS
81518-45-8- Standard SMILES
C=CCSc1nnc(-c2ccccc2O)n1-c1ccccc1C- InChIKey
UTZVKEOFKXACHC-UHFFFAOYSA-N- Molecular formula
- C18H17N3OS
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.10923335
Names & identifiers
- Preferred name
- Phenol, 2-(4-(2-methylphenyl)-5-(2-propenylthio)-4H-1,2,4-triazol-3-yl)-
- IUPAC
- 2-[4-(2-methylphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]phenol
- English name
- 2-(4-(2-Methylphenyl)-5-(2-propenylthio)-4H-1,2,4-triazol-3-yl)phenol
- Molecular weight
- 0
Names & synonyms
81518-45-8Phenol, 2-(4-(2-methylphenyl)-5-(2-propenylthio)-4H-1,2,4-triazol-3-yl)-RefChem:1094816BRN 51072912-(4-(2-Methylphenyl)-5-(2-propenylthio)-4H-1,2,4-triazol-3-yl)phenol
Database identifiers
- CAS
81518-45-8- PubChem CID
- 3067445
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 394
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Compound notes
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