Basic information
- Standard SMILES
CCCCCSCCCSc1nc(N)n[nH]1- InChIKey
XIFDIRHNOSUGNR-UHFFFAOYSA-N- Molecular formula
- C10H20N4S2
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.112939
Names & identifiers
- Preferred name
- 3-Amino-5-[3-(pentylthio)propylthio]-1,2,4-triazole
- IUPAC
- 3-(3-pentylsulfanylpropylsulfanyl)-1H-1,2,4-triazol-5-amine
Names & synonyms
SCHEMBL8406500XIFDIRHNOSUGNR-UHFFFAOYSA-N3-amino-5-[3-(pentylthio)propylthio]-1,2,4-triazole
Database identifiers
- PubChem CID
- 19023124
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 171
Related reactions
5 records
Compound notes
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