Basic information
- Standard SMILES
CCCC(C)CSc1nnc(N)s1- InChIKey
DSEQTOHAZDQBCH-UHFFFAOYSA-N- Molecular formula
- C8H15N3S2
- Average molar mass
- 217.4 g/mol
- Monoisotopic mass
- 217.07073984
Names & identifiers
- Preferred name
- 2-(2-Methylpentylthio)-1,3,4-thiadiazole-5-amine
- IUPAC
- 5-(2-methylpentylsulfanyl)-1,3,4-thiadiazol-2-amine
Names & synonyms
SCHEMBL6313308DSEQTOHAZDQBCH-UHFFFAOYSA-NAKOS0115487432-(2-methylpentylthio)-1,3,4-thiadiazole-5-amine
Database identifiers
- PubChem CID
- 22486760
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 145
Related reactions
1 records
Compound notes
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