4-Isopropylthiophene-2-carbaldehyde
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Basic information
- CAS
163461-02-7- Standard SMILES
CC(C)c1csc(C=O)c1- InChIKey
XQJYJCWQRXGNMN-UHFFFAOYSA-N- Molecular formula
- C8H10OS
- Average molar mass
- 154.23 g/mol
- Monoisotopic mass
- 154.04523611
Names & identifiers
- Preferred name
- 4-Isopropylthiophene-2-carbaldehyde
- IUPAC
- 4-propan-2-ylthiophene-2-carbaldehyde
- English name
- 2-Thiophenecarboxaldehyde, 4-(1-methylethyl)- (9CI)
- Molecular formula
- C8H10OS
- Molecular weight
- 154.23
Names & synonyms
163461-02-74-Isopropylthiophene-2-carbaldehyde4-(propan-2-yl)thiophene-2-carbaldehyde2-Thiophenecarboxaldehyde, 4-(1-methylethyl)- (9CI)4-propan-2-ylthiophene-2-carbaldehydeSCHEMBL2988975DB-282680EN300-6342702-THIOPHENECARBOXALDEHYDE, 4-(1-METHYLETHYL)-4-(1-Methylethyl)-2-thiophenecarboxaldehyde
Database identifiers
- CAS
163461-02-7- PubChem CID
- 15209625
- Nikkaji
- J645.550F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 240.4 · 240.4±28.0 °C(Predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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