Basic information
- CAS
26170-85-4- Standard SMILES
O=Cc1sccc1-c1ccccc1- InChIKey
BUHSFOAXGMMUSC-UHFFFAOYSA-N- Molecular formula
- C11H8OS
- Average molar mass
- 188.25 g/mol
- Monoisotopic mass
- 188.02958588
Names & identifiers
- Preferred name
- 3-Phenyl-2-thiophenecarboxaldehyde
- IUPAC
- 3-phenylthiophene-2-carbaldehyde
- English name
- 3-Phenyl-2-thiophenecarboxaldehyde
- Molecular formula
- C11H8OS
- Molecular weight
- 188.25
Names & synonyms
3-Phenyl-2-thiophenecarboxaldehyde26170-85-4DTXSID60355987RefChem:281732DTXCID003070463-phenylthiophene-2-carbaldehydephenylthiophene aldehyde3-Phenylthiophen-2-aldehydeSCHEMBL2461016SCHEMBL3975326SCHEMBL7015095CHEMBL4449324
Show more names
2-ForMyl-3-phenylthiophene2-Thiophenecarboxaldehyde, 3-phenyl-
BUHSFOAXGMMUSC-UHFFFAOYSA-N3-Phenyl-thiophene-2-carbaldehyde3-phenyl-thiophen-2-carboxaldehydeDA-23252CS-0269781EN300-1086358
Database identifiers
- CAS
26170-85-4- PubChem CID
- 818847
- DTXSID
DTXSID60355987- ChEMBL
CHEMBL4449324- Nikkaji
- J2.005.914A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 313.4 · 313.4±30.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate, Methanol
- Appearance
- Colorless to light yellow Liquid
Chemistry & industry
Applications
UsesAn intermediate in the preparation of PARP inhibitors.
Suppliers11 total
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
安徽菁科生物科技有限公司0551-65206518 15556523109
Related reactions
9 records
Compound notes
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