Basic information
- CAS
72612-03-4- Standard SMILES
CCc1ccc(C(=O)CCl)s1- InChIKey
MOTHITYOWQEMMH-UHFFFAOYSA-N- Molecular formula
- C8H9ClOS
- Average molar mass
- 188.67 g/mol
- Monoisotopic mass
- 188.00626359
Names & identifiers
- Preferred name
- 2-Chloro-1-(5-ethylthien-2-yl)ethanone
- IUPAC
- 2-chloro-1-(5-ethylthiophen-2-yl)ethanone
- English name
- Ethanone, 2-chloro-1-(5-ethyl-2-thienyl)- (9CI)
- Molecular formula
- C8H9ClOS
- Molecular weight
- 188.67
Names & synonyms
72612-03-42-chloro-1-(5-ethylthiophen-2-yl)ethanone2-chloro-1-(5-ethylthien-2-yl)ethanone2-chloro-1-(5-ethylthiophen-2-yl)ethan-1-oneEthanone,2-chloro-1-(5-ethyl-2-thienyl)-SCHEMBL3930128DTXSID80407053XCA61203AKOS0002020882-Chloro-1-(5-ethyl-2-thienyl)ethanoneDA-26697CS-0233238
Show more names
Ethanone, 2-chloro-1-(5-ethyl-2-thienyl)-Ethanone, 2-chloro-1-(5-ethyl-2-thienyl)- (9CI)
EN300-13195Z89283345
Database identifiers
- CAS
72612-03-4- PubChem CID
- 4962287
- DTXSID
DTXSID80407053
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 51 · 51-52 °C(Solv: methanol (67-56-1))
- Boiling point
- 110 · 110-134 °C(Press: 0.5 Torr)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
1 records
Compound notes
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