2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole

Basic Information

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CAS Number

102-77-2

Molecular Formula

C11H12N2OS2

Molecular Weight

252.36 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 Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

84.0 to 88.0 deg-C

Boiling Point

413.1ºC at 760 mmHg

Flash Point

203.6ºC

Refractive Index

1.5650 (estimate)

SMILES

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C1COCCN1SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2

InChIKey

MHKLKWCYGIBEQF-UHFFFAOYSA-N

LogP

2.635600000000001

Topological Polar Surface Area

25.36 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

236

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

2-(MORPHOLINOTHIO)-BENZOTHIAZOLE
InChI=1/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2
N-(Oxydiethylene)-2-benzothiazolesulfenamide
2-(morpholin-4-ylthio)-1,3-benzothiazole
2-Benzothiazolesulfenamide, N-morpholinyl-
Morpholinylmercapto-benzo-thiazole
Morpholine, 4-(2-benzothiazolylthio)-
AMAX
2-(4-Morpholino)thiobenzothiazole
Meramide M
2-(4-Morpholinylthio)-1,3-benzothiazole
A896704
Tox21_110976
Q-200146
HMS3323A19
UNII-VCD7623F3K
4-27-00-01868 (Beilstein Handbook Reference)
2-(4-Morpholinylmercapto)benzothiazole
2-(4-Morpholinothio)benzothiazole
Cure-rite OBTS
Delac MOR
MFCD00022870
Sulfenax MOR
Vulcafor SSM
Benzothiazole, 2-(4-morpholinylthio)-
VCD7623F3K
2-(Morpholinthio)-benzothiazole
2-(4-morpholinothio)-benzothiazole
NSC70078
Tox21_110976_1
Usaf cy-7

MDL Number

MFCD00022870

Customs Code

2934200090

FAQ

What is 2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole (CAS: 102-77-2)?

2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole is a chemical compound with the CAS number 102-77-2. It has the molecular formula C11H13N2OS and is characterized by its heterocyclic structure containing a benzothiazole ring and a morpholino group. This compound is known for its biological activity and is commonly used in various chemical applications.

What are the main uses of 2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole (CAS: 102-77-2)?

2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole (CAS: 102-77-2) is widely used in pharmaceutical research for its potential therapeutic properties. It serves as a key intermediate in the synthesis of drugs targeting neurological and cardiovascular conditions. Additionally, it finds applications in organic chemistry and material science due to its versatile functional groups and reactivity.

Is 2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole (CAS: 102-77-2) safe?

2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole (CAS: 102-77-2) is generally considered safe when handled properly. However, it is important to follow standard safety protocols, such as using personal protective equipment (PPE), ensuring good ventilation, and avoiding direct contact with skin or inhalation. Safety data sheets (SDS) should be consulted for detailed handling and exposure guidelines.

How should 2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole (CAS: 102-77-2) be stored?

2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole (CAS: 102-77-2) should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a sealed container, away from moisture and incompatible substances. Storage at temperatures below 25°C and in a controlled humidity environment is ideal to prevent degradation.