Basic information
- Standard SMILES
Cn1nnnc1SCCCSc1ccccn1- InChIKey
LBHSGGQESNYMFT-UHFFFAOYSA-N- Molecular formula
- C10H13N5S2
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.06123778
Names & identifiers
- Preferred name
- 1-Methyl-5-[3-(2-pyridyl)thiopropyl]thio-1,2,3,4-tetrazole
- IUPAC
- 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine
Names & synonyms
SCHEMBL10972820LBHSGGQESNYMFT-UHFFFAOYSA-N1-Methyl-5-[3-(2-pyridyl)thiopropyl]thio-1,2,3,4-tetrazole
Database identifiers
- PubChem CID
- 13061937
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 219
Related reactions
1 records
Compound notes
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