5-(4-Isopropylphenyl)thiophene-2-carboxylic acid
Basic information
- CAS
943115-91-1- Standard SMILES
CC(C)c1ccc(-c2ccc(C(=O)O)s2)cc1- InChIKey
NKIODYGXPIOIST-UHFFFAOYSA-N- Molecular formula
- C14H14O2S
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.07145086
Names & identifiers
- Preferred name
- 5-(4-Isopropylphenyl)thiophene-2-carboxylic acid
- IUPAC
- 5-(4-propan-2-ylphenyl)thiophene-2-carboxylic acid
- English name
- 5-(4-Isopropylphenyl)thiophene-2-carboxylic acid
- Molecular formula
- C14H14O2S
- Molecular weight
- 246.32
Names & synonyms
5-(4-ISOPROPYLPHENYL)THIOPHENE-2-CARBOXYLIC ACID943115-91-1MFCD073759095-(4-propan-2-ylphenyl)thiophene-2-carboxylic acid5-[4-(Propan-2-yl)phenyl]thiophene-2-carboxylic acidSCHEMBL9613342DTXSID306025765-(4-Isopropylphenyl)thiophene-2-carboxylicacidAC7379AKOS000352474AS-67829SY096661
Show more names
5-[4-(1-Methylethyl)phenyl]-2-thiophenecarboxylic acid2-Thiophenecarboxylic acid, 5-[4-(1-methylethyl)phenyl]-
DB-368059CS-0045390F236440
Database identifiers
- CAS
943115-91-1- PubChem CID
- 20111577
- DTXSID
DTXSID30602576
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 403.9 · 403.9±40.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 3.54 · 3.54±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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