S-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate

Basic Information

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CAS Number

80756-85-0

Molecular Formula

C13H10N4O2S3

Molecular Weight

350.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

126-130 ºC

Boiling Point

563.2°C at 760 mmHg

Density

1.63

Flash Point

294.4℃

Refractive Index

1.6200 (estimate)

SMILES

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CON=C(C1=CSC(=N1)N)C(=O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H10N4O2S3/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15)/b17-10-

InChIKey

COFDRZLHVALCDU-YVLHZVERSA-N

LogP

3.0044000000000004

Topological Polar Surface Area

90.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

451

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Sensitiveness

Sensitive to moisture

Synonyms & References

English

4-THIAZOLEETHANETHIOIC ACID, 2-AMINO-.ALPHA.-(METHOXYIMINO)-, S-2-BENZOTHIAZOLYL ESTER, (.ALPHA.Z)-
2-(2-Aminothiazol-4-yl)-S-(2-benzothiazoleyl)-(Z)-2-methoxyiminothioacetate
MFCD00071547
S-(benzo[d]thiazol-2-yl) (z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate
S-(BENZOTHIAZOL-2-YL) (Z)-(2-AMINOTHIAZOL-4-YL)(METHOXYIMINO)THIOACETATE
4-Thiazoleethanethioic acid, 2-amino-alpha-(methoxyimino)-, S-2-benzothiazolyl ester, (Z)-
DTXSID001335840
AKOS001606656
S-BENZOTHIAZOL-2-YL 2-(2-AMINOTHIAZOL-4-YL)-2-(SYN-METHOXYIMINO)THIOACETATE
80756-85-0
CEFTRIAXONE BENZOTHIAZOLYLOXIME [USP IMPURITY]
S-(2-Benzothiazolyl) (Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)thioacetate
AC-7144
CHEMBL445426
UNII-96SMK1EX8X
HMS1608F18
B3602
SCHEMBL5450326
S-2-Benzothiazolyl-2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate, (Z)-
CEFTRIAXONE SODIUM IMPURITY D [IP]
W-104225
(Z)-S-2-Benzothiazolyl2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate
S-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate
S-2-Benzothiazolyl-2-amino-a-(methoxyimino)-4-thiazolethiolacetate
S-2-BENZOTHIAZOLYL-2-AMINO-.ALPHA.-(METHOXYIMINO)-4-THIAZOLETHIOLACETATE, (Z)-
2-Amino-alpha-(methoxyimino)-4-thiazoleethanethioic acid S-2-benzothiazolyl ester
S-2-Benzothiazolyl (Z)-2-amino-alpha-(methoxyimino)-4-thiazoleethanethioate
S-2-BENZOTHIAZOLYL-2-AMINO-.ALPHA.-(METHOXYIMINO)-4-THIAZOLETHIOLACETATE
(2Z)-2-(2-AMINO-1,3-THIAZOL-4-YL)-1-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-2-(METHOXYIMINO)ETHAN-1-ONE
2-AMINO-.ALPHA.-(METHOXYIMINO)-4-THIAZOLEETHANETHIOIC ACID S-2-BENZOTHIAZOLYL ESTER
Ceftriaxone Impurity D

MDL Number

MFCD00071547

Customs Code

2934999090

FAQ

What is S-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate (CAS: 80756-85-0)?

S-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate (CAS: 80756-85-0) is a synthetic organic compound characterized by its complex thioate structure. It contains a benzothiazole ring linked to a thiazole group via an ethanethioate bridge, featuring functional groups such as amino, methoxyimino, and thioate. This compound is known for its potential applications in medicinal chemistry and bioactive research due to its structural versatility and reactivity.

What are the main uses of S-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate (CAS: 80756-85-0)?

S-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate (CAS: 80756-85-0) is primarily used in pharmaceutical research for its potential as a bioactive compound. It may serve as a building block for drug development, particularly in the design of antibiotics, antifungals, or other therapeutic agents. Additionally, it is used in organic synthesis and chemical research due to its structural features and reactivity.

Is S-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate (CAS: 80756-85-0) safe?

The safety of S-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate (CAS: 80756-85-0) depends on its application. As a chemical intermediate, it may require proper handling to avoid exposure. It is advisable to follow standard safety protocols, including use of personal protective equipment (PPE), when working with this compound. Long-term toxicity data may be limited, so caution is recommended in its use and disposal.

How should S-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate (CAS: 80756-85-0) be stored?

S-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate (CAS: 80756-85-0) should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a sealed container away from moisture and air to prevent degradation. Avoid exposure to high temperatures, humidity, or direct light to ensure the compound remains chemically intact and safe for use.