Methyl ({(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino}oxy)acetate

Basic Information

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CAS Number

246035-38-1

Molecular Formula

C15H12N4O4S3

Molecular Weight

408.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

117-120°C

Boiling Point

610.999°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C15H12N4O4S3/c1-22-11(20)6-23-19-12(9-7-24-14(16)17-9)13(21)26-15-18-8-4-2-3-5-10(8)25-15/h2-5,7H,6H2,1H3,(H2,16,17)/b19-12-

InChIKey

OAMJLTUHASKYSM-UNOMPAQXSA-N

LogP

2.547600000000001

Topological Polar Surface Area

116.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

565

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

methyl 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxyacetate
AC-5573
methyl 2-[[1-(2-aminothiazol-4-yl)-2-(1,3-benzothiazol-2-yloxy)-2-thioxo-ethylidene]amino]oxyacetate;S-2-Benzothiazolyl (Z)-2-(2-aminothiazole-4-yl)-2-methoxy-carbonylmethioacetate
EC 700-101-6
S-2-Benzothiazolyl (Z)-2-(2-aminothiazole-4-yl)-2-methoxy-carbonylmethioacetate
MFCD08704788
A817391
Acetic acid, 2-[[(Z)-[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]-, methyl ester
CID 10927678
J-502638
Methyl ((((1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene)amino)oxy)acetate
(s)-2-benzothiazolyl (z)-2-(2-aminothiazole-4-yl)-2-methoxycarbonylmethoxyiminothioacetate
AS-15775
Methyl 2-[[(Z)-[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]acetate
(Z)-methyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-yloxy)-2-thioxoethylidene)amino)oxy)acetate
2-Mercaptobenzotriazoyl-(Z)-2-(2-aminothiazole-4-yl)-2-(methyoxycarbonyl methoxyimino)acetate(mica ester)
DTXSID901115180
AKOS015963328
246035-38-1
(Z)-Methyl2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)acetate
(Z)-Methyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)acetate
(S)-2-Benzothiazolyl (Z)-2-(2-aminothiazole-4-yl)-2-methoxycarbonylmethoxyiminothioacetate
MICA ESTER
S-2-BENZOTHIAZOLYL( Z )-2-(2-AMINOTHIAZOL-4-YL)-2-METHOXYCARBONYLMETHOXYIMINO-THIOACETATE (FAEM)
(S)-2-Benzothiazoly
2-MERCAPTOBENZOTRIAZOYL-(Z)-2-(2-AMINOTHIAZOLE-4-YL)-2-(METHYOXYCARBONYL METHOXYIMINO)ACETATE (MICA ESTER)

MDL Number

MFCD08704788

Customs Code

2934200090

FAQ

What regulatory guidelines apply to Methyl ({(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino}oxy)acetate (CAS: 246035-38-1)?

Methyl ({(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino}oxy)acetate (CAS: 246035-38-1) is subject to various regulatory guidelines, including GHS classification for hazardous chemicals, REACH regulations for the European Union, and FDA/EPA requirements for safety, handling, and environmental discharge. Specific regulations may vary based on the intended use and local regulations.

Are there alternatives to Methyl ({(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino}oxy)acetate (CAS: 246035-38-1) in synthesis?

Alternatives to Methyl ({(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino}oxy)acetate (CAS: 246035-38-1) in synthesis may include other thiazole derivatives, such as 2-mercaptobenzothiazole or its analogs, and other reagents like thiourea or dithiocarbamates. The choice of alternative depends on the specific reaction conditions and desired product characteristics.

What is the market or research trend for Methyl ({(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino}oxy)acetate (CAS: 246035-38-1)?

The market for Methyl ({(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino}oxy)acetate (CAS: 246035-38-1) is niche, with increasing research trends in pharmaceutical and materials science applications. Emerging research focuses on its potential as a precursor for advanced materials and as a therapeutic agent in certain diseases. Pricing trends may reflect these research advancements and the limited supply of such specialized chemicals.

How should waste containing Methyl ({(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino}oxy)acetate (CAS: 246035-38-1) be handled?

Waste containing Methyl ({(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino}oxy)acetate (CAS: 246035-38-1) should be collected and disposed of in accordance with local and national waste disposal regulations. It is advisable to use professional waste disposal services to ensure safe incineration or other environmentally friendly methods. Proper labeling, segregation, and documentation are crucial to comply with regulatory requirements and ensure safety.