2-[[5-(2-Furanyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]ethanamine
Basic information
- CAS
1181607-26-0- Standard SMILES
Cn1c(SCCN)nnc1-c1ccco1- InChIKey
CAXOXCMHZAZDNU-UHFFFAOYSA-N- Molecular formula
- C9H12N4OS
- Average molar mass
- 224.29 g/mol
- Monoisotopic mass
- 224.07318219
Names & identifiers
- Preferred name
- 2-[[5-(2-Furanyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]ethanamine
- IUPAC
- 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine
Names & synonyms
DTXSID7011721862-[[5-(2-Furanyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]ethanamine1181607-26-02-{[5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-amine
Database identifiers
- CAS
1181607-26-0- PubChem CID
- 39246271
- DTXSID
DTXSID701172186
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
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Compound notes
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