6-Ethynyl-4,4-dimethylthiochromane

Basic Information

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CAS Number

118292-06-1

Molecular Formula

C13H14S

Molecular Weight

16.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

69-72 ºC

Boiling Point

299.2°C at 760 mmHg

Flash Point

128 ºC

SMILES

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CC1(CCSC2=C1C=C(C=C2)C#C)C

InChI

InChI=1S/C13H14S/c1-4-10-5-6-12-11(9-10)13(2,3)7-8-14-12/h1,5-6,9H,7-8H2,2-3H3

InChIKey

KVHNVHGCQWNGLG-UHFFFAOYSA-N

LogP

0.6361

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

258

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(4,4-dimethylthiochroman-6- yl)acetylene
6-ethynyl-4,4-dimethyl-thiochroman
(4,4-dimethylthiochroman-6-yl)ethyne
AKOS015842169
SCHEMBL4309215
4.4-Dimethyl-6-ethynylthiochroman
FT-0658115
DTXSID20448804
SY105033
(4,4-dimethylthiochroman-6-yl) acetylene
6-ethynyl-4,4-dimethyl-2,3-dihydrothiochromene
AMY31156
2H-1-Benzothiopyran,6-ethynyl-3,4-dihydro-4,4-dimethyl-
C13H14S
AC-6225
BCP08778
6-Ethynyl-4,4-dimethylthiochroman
A804084
AS-15986
118292-06-1
MFCD00902029
6-ethynyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran
(4,4-dimethyl-thiochroman-6-yl)ethyne
4,4-dimethyl-6-ethynyl-thiochroman
(4,4-dimethylthiochroman-6-yl)acetylene
2H-1-Benzothiopyran, 6-ethynyl-3,4-dihydro-4,4-dimethyl-
J-518694
4,4-DIMETHYL-6-ETHYNYLTHIOCHROMAN
J-003729
KVHNVHGCQWNGLG-UHFFFAOYSA-N
CS-M1837

MDL Number

MFCD00902029

FAQ

What is 6-Ethynyl-4,4-dimethylthiochromane (CAS: 118292-06-1)?

6-Ethynyl-4,4-dimethylthiochromane is an organic compound with the CAS number 118292-06-1. It is a derivative of thiochromane with a vinyl group attached to the 6-position and two methyl groups at the 4-position. This compound exhibits unique optical properties and is often used in research and industrial applications due to its structural characteristics.

What are the main uses of 6-Ethynyl-4,4-dimethylthiochromane (CAS: 118292-06-1)?

6-Ethynyl-4,4-dimethylthiochromane is used in various applications, including research for its unique optical properties, as a component in certain organic synthesis reactions, and as a material in optical devices. It is also explored for its potential use in pharmaceuticals and as a photostabilizer in some formulations.

Is 6-Ethynyl-4,4-dimethylthiochromane (CAS: 118292-06-1) safe?

6-Ethynyl-4,4-dimethylthiochromane is generally considered safe for laboratory use when handled with appropriate precautions. However, as with any chemical, it should be stored and used in a well-ventilated area, and proper personal protective equipment (PPE) should be worn. Avoid inhalation of dust and direct contact with skin and eyes.

How should 6-Ethynyl-4,4-dimethylthiochromane (CAS: 118292-06-1) be stored?

6-Ethynyl-4,4-dimethylthiochromane should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Store it in a well-ventilated area to avoid the risk of inhalation of dust. Handle with care to prevent spills or contamination.