4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole
Basic information
- CAS
5340-72-7- Standard SMILES
C#CCSc1nncn1C- InChIKey
RRDPHIUFORHWCS-UHFFFAOYSA-N- Molecular formula
- C6H7N3S
- Average molar mass
- 153.21 g/mol
- Monoisotopic mass
- 153.03606841
Names & identifiers
- Preferred name
- 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole
- IUPAC
- 4-methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole
Names & synonyms
5340-72-74-methyl-3-prop-2-ynylsulfanyl-1,2,4-triazoleSCHEMBL16363812DTXSID20410748AKOS0089091834-Methyl-3-[(prop-2-yn-1-yl)sulfanyl]-4H-1,2,4-triazole
Database identifiers
- CAS
5340-72-7- PubChem CID
- 5217482
- DTXSID
DTXSID20410748- Nikkaji
- J1.075.604I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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