5-methyl-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
Basic information
- CAS
6998-59-0- Standard SMILES
C=CCSc1n[nH]c(C)n1- InChIKey
LXEYIMWMIKHTAS-UHFFFAOYSA-N- Molecular formula
- C6H9N3S
- Average molar mass
- 155.22 g/mol
- Monoisotopic mass
- 155.05171847
Names & identifiers
- Preferred name
- 5-methyl-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
- IUPAC
- 5-methyl-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
Names & synonyms
6998-59-05-methyl-3-prop-2-enylsulfanyl-1H-1,2,4-triazoleSCHEMBL2489446SCHEMBL12332577DTXSID104117295-Methyl-3-[(prop-2-en-1-yl)sulfanyl]-1H-1,2,4-triazole
Database identifiers
- CAS
6998-59-0- PubChem CID
- 5230201
- DTXSID
DTXSID10411729
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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