2-(Methylsulfanyl)-1,3-benzothiazole

Basic Information

View in Editor

CAS Number

615-22-5

Molecular Formula

C8H7NS2

Molecular Weight

181.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

44.0 to 48.0 deg-C

Boiling Point

177°C/22mmHg

Density

1.2625 (rough estimate)

Refractive Index

1.5700 (estimate)

SMILES

View in Editor

CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3

InChIKey

UTBVIMLZIRIFFR-UHFFFAOYSA-N

LogP

3.018200000000001

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

140

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

UNII-2748L341KY
USAF EK-4008
InChI=1/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H
MLS000541593
2-(Methylmercapto)benzothiazole
2-METHYLTHIOBENZOTHIAZOLE
Methylcaptax
2748L341KY
2-(methylthio)-1,3-benzothiazole
NCGC00246570-01
W-105142
NSC-41046
MTBT
NSC-5352
CHEBI:1217
MS-1432
2-Methylmercaptobenzothiazole
A833277
2-Mercaptobenzothiazole Methyl Ether
2-(Methylthio)benzothiazole, 97%
31621-01-9
FT-0608859
SMR000112274
Epitope ID:138945
2-methylmercaptobenzthiazole
AI3-51102
2-(Methylthio)benzothiozole
NSC 41046
AM9910
AKOS002235202
M0439

MDL Number

MFCD00005784

Customs Code

2934200090

FAQ

What is 2-(Methylsulfanyl)-1,3-benzothiazole (CAS: 615-22-5)?

2-(Methylsulfanyl)-1,3-benzothiazole (CAS: 615-22-5) is a chemical compound with the formula C9H9NS. It is a benzothiazole derivative with a methylsulfanyl group attached to the 2-position. This compound is characterized by its aromatic structure and is often used in pharmaceuticals and research for its biological activity.

What are the main uses of 2-(Methylsulfanyl)-1,3-benzothiazole (CAS: 615-22-5)?

2-(Methylsulfanyl)-1,3-benzothiazole (CAS: 615-22-5) is primarily used in pharmaceuticals as a precursor for drug synthesis, particularly in antimicrobial and antitumor agents. It is also utilized in research for its biological activities and as an intermediate in chemical synthesis.

Is 2-(Methylsulfanyl)-1,3-benzothiazole (CAS: 615-22-5) safe?

2-(Methylsulfanyl)-1,3-benzothiazole (CAS: 615-22-5) is generally considered safe under proper handling conditions. However, it should be used with caution to avoid skin contact and inhalation. Protective measures include wearing gloves and a mask, and avoiding exposure to light and heat to prevent degradation.

How should 2-(Methylsulfanyl)-1,3-benzothiazole (CAS: 615-22-5) be stored?

2-(Methylsulfanyl)-1,3-benzothiazole (CAS: 615-22-5) should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent moisture and light exposure. Avoid contact with incompatible materials such as oxidizing agents to ensure safety and stability.