CC(=O)C1=CC2=C(C=C1)SCCC2(C)C
CAS: 88579-23-1
Nom: 1-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethanone
SMILES: CC(=O)C1=CC2=C(C=C1)SCCC2(C)C

Molecular Processing

Molecular formula
C13H16OS
Molecular weight
220.34
Exact mass
220.0922
XLogP
3.66
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
64.81

Supplementary Information

InChIKey: DHIVJYNSSSHXRG-UHFFFAOYSA-N
Synonymes
1-(4,4-dimethylthiochroman-6-yl)ethanone88579-23-1DTXSID30470934RefChem:224623DTXCID004217516-Acetyl-4,4-dimethylthiochroman1-(4,4-DIMETHYL-THIOCHROMAN-6-YL)-ETHANONE1-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethanoneEthanone, 1-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)-MFCD098330126-acetyl-4,4-dimethyl-3,4-dihydro-2h-1-benzothiopyran6-Acetyl-4,4-dimethylthio-chroman1-(4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethan-1-one1-(4,4-dimethylthiochroman-6-yl)ethan-1-one4,4-dimethyl-6-acetylthiochroman4,4-Dimethyl-6-acetylthiochroman; 6-Acetyl-4,4-dimethylthiochroman; 1-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethanone;SCHEMBL34566734,4Dimethyl-6-acetylthiochroman4,4 Dimethyl-6-acetylthiochroman4.4-Dimethyl-6-acetylthiochromanDHIVJYNSSSHXRG-UHFFFAOYSA-N4,4-dimethyl-6-acetyl-thiochromanCS-M1893AKOS015841080CS-13031SY256829F9863253,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl methyl ketone
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Recherche Etendue

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