1-(4,4-Dimethylthiochroman-6-yl)ethanone

Basic Information

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CAS Number

88579-23-1

Molecular Formula

C13H16OS

Molecular Weight

220.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

353.8°C at 760 mmHg

SMILES

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CC(=O)C1=CC2=C(C=C1)SCCC2(C)C

InChI

InChI=1S/C13H16OS/c1-9(14)10-4-5-12-11(8-10)13(2,3)6-7-15-12/h4-5,8H,6-7H2,1-3H3

InChIKey

DHIVJYNSSSHXRG-UHFFFAOYSA-N

LogP

3.662600000000003

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

259

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

1-(4,4-Dimethylthiochroman-6-yl)ethanone
6-Acetyl-4,4-dimethylthiochroman
1-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethanone
1-(4,4-Dimethyl-thiochroman-6-yl)-ethanone
6-Acetyl-4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran
Ethanone,1-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)-
6-Acetyl-4,4-dimethylthio-chroman
4,4-dimethyl-6-acetylthiochroman
Ethanone, 1-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)-
benzothiopyran-6-yl)-
PubChem16385
C13H16OS
4,4Dimethyl-6-ac
1-(4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethan-1-one
1-(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethanone (ACI)
2H-1-Benzothiopyran, ethanone deriv. (ZCI)
1-(4,4-Dimethyl-2,3-dihydrothiochromen-6-yl)ethanone
4,4-Dimethyl-6-acetylthiochroman
3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl methyl ketone
1-(4,4-dimethylthiochroman-6-yl)ethan-1-one
4,4-Dimethyl-6-acetylthiochroman; 6-Acetyl-4,4-dimethylthiochroman; 1-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethanone;
4,4Dimethyl-6-acetylthiochroman
CS-M1893
AKOS015841080
MFCD09833012
4,4 Dimethyl-6-acetylthiochroman
DTXSID30470934
6-acetyl-4,4-dimethyl-3,4-dihydro-2h-1-benzothiopyran
SCHEMBL4542945
4,4-dimethyl-6-acetyl-thiochroman
1-(4,4-DIMETHYL-THIOCHROMAN-6-YL)-ETHANONE

MDL Number

MFCD09833012

Customs Code

2932999099

FAQ

What is 1-(4,4-Dimethylthiochroman-6-yl)ethanone (CAS: 88579-23-1)?

1-(4,4-Dimethylthiochroman-6-yl)ethanone is a organic compound with the CAS number 88579-23-1. It is characterized by its unique molecular structure, which includes a 4,4-dimethylthiochroman ring and an ethanone group. This compound exhibits properties such as solubility in organic solvents and stability under normal conditions.

What are the main uses of 1-(4,4-Dimethylthiochroman-6-yl)ethanone (CAS: 88579-23-1)?

1-(4,4-Dimethylthiochroman-6-yl)ethanone is primarily used in pharmaceuticals and as a research tool. It serves as a precursor in the synthesis of various organic compounds and has potential applications in drug discovery and development. Additionally, it is used in the production of certain dyes and pigments.

Is 1-(4,4-Dimethylthiochroman-6-yl)ethanone (CAS: 88579-23-1) safe?

1-(4,4-Dimethylthiochroman-6-yl)ethanone is generally considered safe under normal handling conditions. However, it is important to follow safety guidelines, including proper ventilation and protective equipment. Exposure to high temperatures or flames should be avoided to prevent fires and potential health risks.

How should 1-(4,4-Dimethylthiochroman-6-yl)ethanone (CAS: 88579-23-1) be stored?

1-(4,4-Dimethylthiochroman-6-yl)ethanone should be stored in a cool, dry place away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent degradation. Avoid contact with incompatible materials such as acids and strong bases. Handle with care to prevent spills or contamination.