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Product No: AA6694

Ethyl 2-methylthiazole-4-carboxylate, 97%

Name: Ethyl 2-methylthiazole-4-carboxylate
Brand: Chempure

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CAS Number

6436-59-5

Molecular Weight

171.22

Formula

C7H9NO2S

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IUPAC name	ethyl 2-methyl-1,3-thiazole-4-carboxylate
canonical smiles	CCOC(=O)C1=CSC(=N1)C
inchi	InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3
inchi key	QWWPUBQHZFHZSF-UHFFFAOYSA-N
molecular formula	C7H9NO2S
synonyms	Ethyl 2-methylthiazole-4-carboxylate 6436-59-5 ethyl 2-methyl-1,3-thiazole-4-carboxylate 2-Methyl-thiazole-4-carboxylic acid ethyl ester MFCD00156148

Computed Properties

Molecular Weight:	171.22 g/mol
XLogP3:	1.9
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Exact Mass:	171.03539970 g/mol
Monoisotopic Mass:	171.03539970 g/mol
Topological Polar Surface Area:	67.4 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	151
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Diethyltoluamide

Picolinic acid

Methyl benzoate

Acetophenone

2-Chloroacetophenone

Methyl nicotinate

Carbimazole

Phenyl acetate

2-Furoic acid

3-Acetylpyridine

2-Acetylpyridine

Nitrapyrin

2-Acetylthiazole

Ethyl cyclohexanecarboxylate

Acetylpyrazine

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (16.67%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302+H312+H332 (16.67%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (16.67%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (16.67%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	ethyl 2-methyl-1,3-thiazole-4-carboxylate
canonical smiles	CCOC(=O)C1=CSC(=N1)C
inchi	InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3
inchi key	QWWPUBQHZFHZSF-UHFFFAOYSA-N
molecular formula	C7H9NO2S
synonyms	Ethyl 2-methylthiazole-4-carboxylate 6436-59-5 ethyl 2-methyl-1,3-thiazole-4-carboxylate 2-Methyl-thiazole-4-carboxylic acid ethyl ester MFCD00156148

Computed Properties

Molecular Weight:	171.22 g/mol
XLogP3:	1.9
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Exact Mass:	171.03539970 g/mol
Monoisotopic Mass:	171.03539970 g/mol
Topological Polar Surface Area:	67.4 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	151
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Diethyltoluamide

Picolinic acid

Methyl benzoate

Acetophenone

2-Chloroacetophenone

Methyl nicotinate

Carbimazole

Phenyl acetate

2-Furoic acid

3-Acetylpyridine

2-Acetylpyridine

Nitrapyrin

2-Acetylthiazole

Ethyl cyclohexanecarboxylate

Acetylpyrazine

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (16.67%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302+H312+H332 (16.67%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (16.67%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (16.67%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AA6694

Ethyl 2-methylthiazole-4-carboxylate, 97%

Product No: AA6694

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA6694

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?