Basic information
- CAS
408500-72-1- Standard SMILES
CSc1cc2c(o1)N(C)CCC2- InChIKey
LDXFIXUKTMPEHO-UHFFFAOYSA-N- Molecular formula
- C9H13NOS
- Average molar mass
- 183.27 g/mol
Names & identifiers
- Preferred name
- Furo[2,3-b]pyridine, 4,5,6,7-tetrahydro-7-methyl-2-(methylthio)-
- IUPAC
- 7-methyl-2-methylsulfanyl-5,6-dihydro-4H-furo[2,3-b]pyridine
- English name
- Furo[2,3-b]pyridine, 4,5,6,7-tetrahydro-7-methyl-2-(methylthio)-
- Molecular formula
- C9H13NOS
- Molecular weight
- 183.27
Names & synonyms
408500-72-1Furo[2,3-b]pyridine, 4,5,6,7-tetrahydro-7-methyl-2-(methylthio)-DB-276584
Database identifiers
- CAS
408500-72-1- Nikkaji
- J1.740.498I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 306.4 · 306.4±42.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 4.92 · 4.92±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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