Basic information
- CAS
96134-07-5- Standard SMILES
OCCn1c(-c2ccccc2)n[nH]c1=S- InChIKey
QZUSDJZJNHZWCV-UHFFFAOYSA-N- Molecular formula
- C10H11N3OS
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.06228316
Names & identifiers
- Preferred name
- 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol
- IUPAC
- 4-(2-hydroxyethyl)-3-phenyl-1H-1,2,4-triazole-5-thione
- English name
- 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol
- Molecular formula
- C10H11N3OS
- Molecular weight
- 221.28
Names & synonyms
2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol96134-07-54-(2-hydroxyethyl)-3-phenyl-1H-1,2,4-triazole-5-thioneSCHEMBL17713900STK500215STK618070AKOS005455583AKOS005551720AF-615/303680362-(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)ethanol4-(2-hydroxyethyl)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(2-hydroxyethyl)-5-phenyl-
Database identifiers
- CAS
96134-07-5- PubChem CID
- 830142
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 190 · 190-192 °C(Solv: methanol (67-56-1))
- Boiling point
- 352.2 · 352.2±44.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 8.16 · 8.16±0.20(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…