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Basic information
- Standard SMILES
CC(C)=CCCC(C)=CCCC(C)=CCSc1ncn[nH]1- InChIKey
QFXNCKFWHATRCH-UHFFFAOYSA-N- Molecular formula
- C17H27N3S
- Average molar mass
- 305.5 g/mol
- Monoisotopic mass
- 305.19256905
Names & identifiers
- Preferred name
- 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole
- IUPAC
- 5-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)-1H-1,2,4-triazole
Names & synonyms
5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole5-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)-1H-1,2,4-triazoleQ27165390
Database identifiers
- PubChem CID
- 3427
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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