1,3-Phenylenedimethanethiol

Basic Information

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CAS Number

41563-69-3

Molecular Formula

C8H10S2

Molecular Weight

170.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

170°C/25mmHg

Refractive Index

n20/D 1.6207(lit.)

SMILES

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C1=CC(=CC(=C1)CS)CS

InChI

InChI=1S/C8H10S2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2

InChIKey

JSNABGZJVWSNOB-UHFFFAOYSA-N

LogP

2.5462000000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

83.3

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

8VY
B3854
A825594
1,3-xylylene dithiol
m-Xylene-.alpha.,.alpha.'-dithiol
1,3-phenylenedimethanethiol
1,3-Benzenedimethanethiol
41563-69-3
3-(Mercaptomethyl)phenylmethanethiol
1,3-Bis(mercaptomethyl)benzene
8VH
AS-58453
B74
3-(Sulfanylmethyl)benzyl hydrosulfide #
DTXSID50342987
MFCD00012311
3-(mercaptomethyl)phenyl methanethiol
J-503859
[3-(mercaptomethyl)phenyl]methanethiol
SCHEMBL126157
[3-(sulfanylmethyl)phenyl]methanethiol
alpha,alpha'-Dimercapto-m-xylene
T70899
AKOS015897642
JSNABGZJVWSNOB-UHFFFAOYSA-N
FT-0639724
1,3-Benzenedimethanethiol, 95%
1,3-benzenedimethanethiol
3-(MERCAPTOMETHYL)PHENYL METHANETHIOL
O-Xylene DithiOl
α,α'-Dimercapto-m-xylene

MDL Number

MFCD00012311

Customs Code

2930909090

FAQ

What is 1,3-Phenylenedimethanethiol (CAS: 41563-69-3)?

1,3-Phenylenedimethanethiol is an organic compound with the CAS number 41563-69-3. It has the chemical formula C8H10S and is a colorless or pale yellow liquid with a characteristic odor. This compound is used in various applications due to its unique chemical properties.

What are the main uses of 1,3-Phenylenedimethanethiol (CAS: 41563-69-3)?

1,3-Phenylenedimethanethiol is widely used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It also finds applications in the chemical industry for the production of antioxidants, plasticizers, and rubber processing aids. Additionally, it is used in the food industry as a flavor enhancer and antioxidant.

Is 1,3-Phenylenedimethanethiol (CAS: 41563-69-3) safe?

1,3-Phenylenedimethanethiol is generally considered safe for industrial use, but it is important to follow safety guidelines. It is corrosive to the skin and eyes, and inhalation can be harmful. Proper personal protective equipment (PPE), such as gloves, goggles, and a respirator, should be used during handling. Always store in a well-ventilated area away from heat and sources of ignition.

How should 1,3-Phenylenedimethanethiol (CAS: 41563-69-3) be stored?

1,3-Phenylenedimethanethiol should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a sealed container to prevent exposure to air and moisture. Proper storage containers should be made of corrosion-resistant materials to prevent degradation of the compound. Ensure the storage area has good ventilation to minimize the risk of inhalation exposure.