6H-indeno[4,5-b]thiophene-4-carbonitrile,7,8-dihydro-
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Basic information
- CAS
313948-67-3- Standard SMILES
N#Cc1cc2c(c3sccc13)CCC2- InChIKey
CILXFUXAXCJURT-UHFFFAOYSA-N- Molecular formula
- C12H9NS
- Average molar mass
- 199.27 g/mol
Names & identifiers
- Preferred name
- 6H-indeno[4,5-b]thiophene-4-carbonitrile,7,8-dihydro-
- IUPAC
- 7,8-dihydro-6H-cyclopenta[g][1]benzothiole-4-carbonitrile
- English name
- 6H-Indeno[4,5-b]thiophene-4-carbonitrile,7,8-dihydro-(9CI)
- Molecular formula
- C12H9NS
- Molecular weight
- 199.27
Names & synonyms
DS-0170636H-indeno[4,5-b]thiophene-4-carbonitrile,7,8-dihydro-6H-Indeno[4,5-b]thiophene-4-carbonitrile, 7,8-dihydro-6H-Indeno[4,5-b]thiophene-4-carbonitrile,7,8-dihydro-(9CI)
Database identifiers
- CAS
313948-67-3- Nikkaji
- J1.398.476J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 364 · 364.0±42.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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