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Product No: AB4247

Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate, 98%

Name: Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate
Brand: Chempure

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CAS Number

4815-24-1

Molecular Weight

199.27

Formula

C9H13NO2S

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IUPAC name	ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate
canonical smiles	CCOC(=O)C1=C(SC(=C1C)C)N
inchi	InChI=1S/C9H13NO2S/c1-4-12-9(11)7-5(2)6(3)13-8(7)10/h4,10H2,1-3H3
inchi key	JYSDXODDWAQWJR-UHFFFAOYSA-N
molecular formula	C9H13NO2S
synonyms	ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate 4815-24-1 Ethyl 2-amino-4,5-dimethyl3-thenoate 3-Thiophenecarboxylic acid, 2-amino-4,5-dimethyl-, ethyl ester Ethyl 2-amino-4,5-dimethyl-3-thiophenecarboxylate

Computed Properties

Molecular Weight:	199.27 g/mol
XLogP3:	2.8
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Exact Mass:	199.06669983 g/mol
Monoisotopic Mass:	199.06669983 g/mol
Topological Polar Surface Area:	80.6 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	198
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

Methyl anthranilate

2-Aminobenzamide

O-Anisidine

2'-Aminoacetophenone

2,5-Dimethylaniline

2'-Hydroxyacetophenone

2-Methoxy-5-methylaniline

Ethyl anthranilate

2',6'-Dihydroxyacetophenone

2-Aminobenzenesulfonamide

Ethyl 2,4-dihydroxy-6-methylbenzoate

2-Ethylaniline

2'-Hydroxy-5'-methylacetophenone

o-Phenetidine

4-Hydroxyquinoline

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (40%) 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 (40%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (40%): 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 (40%): 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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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-amino-4,5-dimethylthiophene-3-carboxylate
canonical smiles	CCOC(=O)C1=C(SC(=C1C)C)N
inchi	InChI=1S/C9H13NO2S/c1-4-12-9(11)7-5(2)6(3)13-8(7)10/h4,10H2,1-3H3
inchi key	JYSDXODDWAQWJR-UHFFFAOYSA-N
molecular formula	C9H13NO2S
synonyms	ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate 4815-24-1 Ethyl 2-amino-4,5-dimethyl3-thenoate 3-Thiophenecarboxylic acid, 2-amino-4,5-dimethyl-, ethyl ester Ethyl 2-amino-4,5-dimethyl-3-thiophenecarboxylate

Computed Properties

Molecular Weight:	199.27 g/mol
XLogP3:	2.8
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Exact Mass:	199.06669983 g/mol
Monoisotopic Mass:	199.06669983 g/mol
Topological Polar Surface Area:	80.6 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	198
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

Methyl anthranilate

2-Aminobenzamide

O-Anisidine

2'-Aminoacetophenone

2,5-Dimethylaniline

2'-Hydroxyacetophenone

2-Methoxy-5-methylaniline

Ethyl anthranilate

2',6'-Dihydroxyacetophenone

2-Aminobenzenesulfonamide

Ethyl 2,4-dihydroxy-6-methylbenzoate

2-Ethylaniline

2'-Hydroxy-5'-methylacetophenone

o-Phenetidine

4-Hydroxyquinoline

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (40%) 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 (40%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (40%): 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 (40%): 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: AB4247

Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate, 98%

Product No: AB4247

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: AB4247

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?