5-Methoxy-1,3-benzothiazole-2(3H)-thione

Basic Information

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CAS Number

55690-60-3

Molecular Formula

C8H7NOS2

Molecular Weight

197.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

196.0 to 199.0 deg-C

Boiling Point

340.8°C at 760 mmHg

Density

1.44

Water Solubility

Insoluble in water.

Flash Point

159.9°C

Refractive Index

1.728

SMILES

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COC1=CC2=C(C=C1)SC(=S)N2

InChI

InChI=1S/C8H7NOS2/c1-10-5-2-3-7-6(4-5)9-8(11)12-7/h2-4H,1H3,(H,9,11)

InChIKey

JDPITNFDYXOKRM-UHFFFAOYSA-N

LogP

2.5936000000000003

Topological Polar Surface Area

22.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

198

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-methoxy-2-benzothiazolethiol
5-Methoxybenzo[d]thiazole-2-thiol
BDBM50570911
2-Mercapto-5-methoxybenzothiazole
Y10254
SR-01000391410
5-methoxy-1,3-benzothiazole-2-thiol
55690-60-3
2-mercapto-5-methoxy-benzothiazole
SCHEMBL778048
DS-12714
M1277
MFCD00185941
NS00033368
5-Methoxybenzothiazole-2(3H)-thione
CBDivE_001837
JDPITNFDYXOKRM-UHFFFAOYSA-N
5-methoxy-2-mercaptobenzothiazole
5-methoxy-3H-1,3-benzothiazole-2-thione
CS-0042731
SR-01000391410-1
5-Methoxybenzothiazole-2-thiol
FT-0612747
SCHEMBL23536160
EINECS 259-755-1
CHEMBL4849565
DTXSID40204222
5-Methoxybenzo[d]thiazole-2(3H)-thione
AKOS005174770
5-Methoxy-1,3-benzothiazole-2-thiol
5-Methoxy-2-mercaptobenzothiazole

MDL Number

MFCD00185941

Customs Code

2934999090

FAQ

What is 5-Methoxy-1,3-benzothiazole-2(3H)-thione (CAS: 55690-60-3)?

5-Methoxy-1,3-benzothiazole-2(3H)-thione (CAS: 55690-60-3) is a chemical compound with a molecular structure featuring benzothiazole and a methoxy group. It is a yellow solid with a pungent odor. This compound has a melting point of 170-172°C and a molecular weight of approximately 224.23 g/mol.

What are the main uses of 5-Methoxy-1,3-benzothiazole-2(3H)-thione (CAS: 55690-60-3)?

5-Methoxy-1,3-benzothiazole-2(3H)-thione is primarily used as a precursor in the synthesis of other compounds, particularly in the pharmaceutical industry. It is also used in agricultural chemicals and as a reagent in organic synthesis. Its unique structure makes it valuable for research purposes in organic chemistry.

Is 5-Methoxy-1,3-benzothiazole-2(3H)-thione (CAS: 55690-60-3) safe?

5-Methoxy-1,3-benzothiazole-2(3H)-thione (CAS: 55690-60-3) is generally safe under normal handling conditions. However, it should be handled with proper personal protective equipment (PPE) such as gloves and goggles to avoid skin and eye contact. It is not flammable but may release toxic fumes on heating or combustion. Storage and use should follow standard chemical safety procedures.

How should 5-Methoxy-1,3-benzothiazole-2(3H)-thione (CAS: 55690-60-3) be stored?

5-Methoxy-1,3-benzothiazole-2(3H)-thione (CAS: 55690-60-3) 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 moisture absorption. Avoid storing it near incompatible materials, such as acids or oxidizers. Ensure good ventilation in the storage area to prevent the buildup of potentially hazardous fumes.