Benzothiazolone

Basic Information

View in Editor

CAS Number

934-34-9

Molecular Formula

C7H5NOS

Molecular Weight

151.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

136.0 to 141.0 deg-C

Boiling Point

360°C (rough estimate)

Density

1.2170 (rough estimate)

Flash Point

171.5℃

Refractive Index

1.5500 (estimate)

SMILES

View in Editor

C1=CC=C2C(=C1)NC(=O)S2

InChI

InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

InChIKey

YEDUAINPPJYDJZ-UHFFFAOYSA-N

LogP

1.5896

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

160

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Synonyms & References

English

Benzothiazolone
2-HYDROXYBENZOTHIAZOLE
2(3H)-Benzothiazolone
2-Benzothiazolol
3H-BENZOTHIAZOL-2-ONE
Benzo[d]thiazol-2(3H)-one
1,3-Benzothiazol-2-ol
Benzothiazol-2(3H)-one
2-Benzothiazolone
2-Benzothiazolinone
benzothiazolol
3H-1,3-benzothiazol-2-one
1,3-Benzothiazol-2(3H)-one
benzothiazol-2-ol
2-hydroxy-1,3-benzothiazole
MLS000737673
2,3-dihydro-1,3-benzothiazol-2-one
7T26K7NG46
SMR000112468
(2-mercatophenyl)carbamothioic acid gamm
2-Benzothiazolinone (6CI, 7CI, 8CI)
2,3-Dihydro-1,3-benzothiazol-2-one
2-Hydroxybenzothiazole
2-Oxobenzothiazole
NSC 26422
NSC 33823
NSC 7706
benzo[d]thiazol-2(3H)-one
UNII-7T26K7NG46
S-Orthophenylenethiocarbamate
AKOS000638434

MDL Number

MFCD00022868

Customs Code

2934999090

FAQ

What is Benzothiazolone (CAS: 934-34-9)?

Benzothiazolone is a heterocyclic organic compound with the molecular formula C8H6N2S. It is characterized by its aromatic benzene ring fused to a five-membered heterocyclic ring containing a sulfur atom. Benzothiazolone is used in the synthesis of various pharmaceuticals and as a chemical intermediate.

What are the main uses of Benzothiazolone (CAS: 934-34-9)?

Benzothiazolone is primarily used as a precursor in the synthesis of pharmaceutical compounds, particularly those targeting cardiovascular diseases. It also serves as a useful intermediate in the production of dyes and other organic chemicals.

Is Benzothiazolone (CAS: 934-34-9) safe?

Benzothiazolone is generally considered safe for its intended use in chemical synthesis, but handling should be done with care. It is not considered toxic, but skin contact or inhalation of dust may cause irritation. Protective gloves and goggles are recommended during handling. Storage should be in a cool, dry place away from direct sunlight and heat sources.

How should Benzothiazolone (CAS: 934-34-9) be stored?

Benzothiazolone 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 and air exposure. The storage temperature should not exceed 25°C. Avoid contact with incompatible materials such as strong oxidizers and acids. Proper ventilation should be maintained in the storage area.