CAS 217959-45-0 5-Trifluoromethylthiophene-3-one (HCID 2760786)

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Basic information

CAS: 217959-45-0
Standard SMILES: O=C1C=C(C(F)(F)F)SC1
InChIKey: CYTOKNSEVPOFNF-UHFFFAOYSA-N
Molecular formula: C5H3F3OS
Average molar mass: 168.14 g/mol
Monoisotopic mass: 167.98567038

Names & identifiers

Preferred name: 5-Trifluoromethylthiophene-3-one
IUPAC: 5-(trifluoromethyl)thiophen-3-one

Names & synonyms

5-Trifluoromethylthiophene-3-one5-(trifluoromethyl)thiophen-3-one5-(trifluoromethyl)thiophen-3(2H)-one886497-00-3SCHEMBL8140703DTXSID80375349MFCD05864366AKOS006293972F022034

Database identifiers

CAS: 217959-45-0、886497-00-3
PubChem CID: 2760786
DTXSID: DTXSID80375349

Properties

Computed structural propertiesFilling in

XLogP: 1.5
Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 194

Chemistry & industry

Suppliers34 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]

南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]

郑州德元凯化工有限公司17837139533 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

Related reactions

1 records

New reaction record

HRID 623692As reactantuspto-grants-2016_04

Compound notes

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