1,3-Benzoxazole-2-thiol

Basic Information

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CAS Number

2382-96-9

Molecular Formula

C7H5NOS

Molecular Weight

151.19 g/mol

Chemical Classification

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

192.0 to 198.0 deg-C

Boiling Point

360°C (rough estimate)

Flash Point

103.4°C

Refractive Index

1.5500 (estimate)

SMILES

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C1=CC=C2C(=C1)NC(=S)O2

InChI

InChI=1S/C7H5NOS/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,10)

InChIKey

FLFWJIBUZQARMD-UHFFFAOYSA-N

LogP

2.1164999999999994

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

160

Safety Information

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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

Benzoxazolethiol
AKOS002268882
Benzoxazole, 2-mercapto-
SCHEMBL57538
AI3-18637
Benzoxazole-2-thione
2-MERCAPTO BENZOXAZOLE
2(3H)-Benzoxazolethione
InChI=1/C7H5NOS/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,10
Benzooxazole-2-thiol
MFCD00005769
AKOS000119127
2-Benzoxazolinethione
MLS000696385
2-Mercapto-1,3-benzoxazole
UNII-7PFU48RAFX
P92
NS00001741
NSC 2128
BDBM50570938
SMR000337568
BENZOXAZOLINE,2-THIONE
Z104499134
A816929
benzo[d]oxazole-2(3h)-thione
NSC209084
2-Benzoxazolylthiol
W-202001
SCHEMBL9430874
2382-96-9
AM10745

MDL Number

MFCD00005769

Customs Code

29349990

FAQ

What is 1,3-Benzoxazole-2-thiol (CAS: 2382-96-9)?

1,3-Benzoxazole-2-thiol is an organic compound with the chemical formula C7H5NO2S. It is a heterocyclic compound with a benzoxazole ring substituted with a thiol group. This compound is characterized by its aromatic nature and is known for its potential use in pharmaceuticals and as a research tool.

What are the main uses of 1,3-Benzoxazole-2-thiol (CAS: 2382-96-9)?

1,3-Benzoxazole-2-thiol is primarily used in the pharmaceutical industry as a precursor for the synthesis of various bioactive molecules. It is also used in research for studying the properties of heterocyclic compounds and their potential applications in medicine and materials science.

Is 1,3-Benzoxazole-2-thiol (CAS: 2382-96-9) safe?

1,3-Benzoxazole-2-thiol is generally considered safe for most applications, but it should be handled with care. It is mildly irritant and may cause skin and eye irritation. Storage in a cool, dry place away from direct sunlight and heat is recommended. Protective gloves and safety goggles should be worn during handling to prevent direct contact.

How should 1,3-Benzoxazole-2-thiol (CAS: 2382-96-9) be stored?

1,3-Benzoxazole-2-thiol should be stored in a tightly sealed container at room temperature (15-25°C) and in a cool, dry place. It should be kept away from direct sunlight and heat sources to ensure stability. The storage area should be well-ventilated to prevent the accumulation of flammable vapors. Avoid contact with oxidizing agents and strong acids.