Basic information
- CAS
1154261-07-0- Standard SMILES
CC(c1ccco1)n1c(-c2ccccc2)n[nH]c1=S- InChIKey
YURIGZWISWAHEH-UHFFFAOYSA-N- Molecular formula
- C14H13N3OS
- Average molar mass
- 271.34 g/mol
- Monoisotopic mass
- 271.07793322
Names & identifiers
- Preferred name
- 3H-1,2,4-Triazole-3-thione, 4-[1-(2-furanyl)ethyl]-2,4-dihydro-5-phenyl-
- IUPAC
- 4-[1-(furan-2-yl)ethyl]-3-phenyl-1H-1,2,4-triazole-5-thione
Names & synonyms
DTXSID6011500163H-1,2,4-Triazole-3-thione, 4-[1-(2-furanyl)ethyl]-2,4-dihydro-5-phenyl-1154261-07-04-[1-(Furan-2-yl)ethyl]-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
1154261-07-0- PubChem CID
- 43535802
- DTXSID
DTXSID601150016
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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