4'-Ethylthio-2,2,2-trifluoroacetophenone

CAT: 0024-sc-323306ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-323306ASize:5 g

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CAS Number

845823-09-8

Chemical Information

4'-Ethylthio-2,2,2-trifluoroacetophenone

CAS Number	845823-09-8
PubChem CID	2758930
IUPAC Name	1-(4-ethylsulfanylphenyl)-2,2,2-trifluoroethanone
Molecular Formula	C10H9F3OS
Molecular Weight	234.24
XLogP	3.6
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	219

SMILES

CCSC1=CC=C(C=C1)C(=O)C(F)(F)F

InChI

InChI=1S/C10H9F3OS/c1-2-15-8-5-3-7(4-6-8)9(14)10(11,12)13/h3-6H,2H2,1H3

InChIKey

PZELFQVSBHVSAQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 845823-09-8

CID: 2758930

Formula: C10H9F3OS

MW: 234.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.24
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	234.03262057
Monoisotopic Mass	234.03262057
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	219
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-266255	2',3',4'-Trifluoroacetophenone
sc-225826	2',4',5'-Trifluoroacetophenone
sc-260336	2',4',6'-Trifluoroacetophenone
sc-260336A	2',4',6'-Trifluoroacetophenone
sc-336606	4'-Phenoxy-2,2,2-trifluoroacetophenone
sc-226860	4'-Chloro-2,2,2-trifluoroacetophenone
sc-323304A	4'-Ethyl-2,2,2-trifluoroacetophenone
sc-233092	4'- (Dimethylamino) -2,2,2-trifluoroacetophenone
sc-336601	4'-Methylthio-2,2,2-trifluoroacetophenone
sc-336601A	4'-Methylthio-2,2,2-trifluoroacetophenone

Catalog	Name
PC7250-01	4'-Methyl-2,2,2-trifluoroacetophenone
PC2499	4'-Butyl-2,2,2-trifluoroacetophenone
PC10234-01	4'-Amino-2,2,2-trifluoroacetophenone
PC9923-01	4'-Bromo-2,2,2-trifluoroacetophenone
433901-01	4’-Bromo-2,2,2-trifluoroacetophenone
PC31735-01	4'-Chloro-2,2,2-trifluoroacetophenone
PC53033-01	4'-Nitro-2,2,2-trifluoroacetophenone
PC0948	4'-Decyl-2,2,2-trifluoroacetophenone
PC7200-01	2,2,2-Trifluoroacetophenone
PC7202D-01	2',3',4'-Trifluoroacetophenone