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Product No: AB0480

2-Acetylthiophene, 98%

Name: 2-Acetylthiophene
Brand: Chempure

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CAS Number

88-15-3

Molecular Weight

126.18

Formula

C6H6OS

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About this item

IUPAC name	1-thiophen-2-ylethanone
canonical smiles	CC(=O)C1=CC=CS1
inchi	InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
inchi key	WYJOVVXUZNRJQY-UHFFFAOYSA-N
molecular formula	C6H6OS
synonyms	2-ACETYLTHIOPHENE 88-15-3 1-thiophen-2-yl-ethanone 1-(2-Thienyl)ethanone 2-Acetothienone
Compound Description	2-Acetylthiophene is an aromatic ketone. 2-Acetylthiophene is a natural product found in Nicotiana tabacum and Coffea arabica with data available. 2-acetylthiophene is a metabolite found in or produced by Saccharomyces cerevisiae.

Computed Properties

Molecular Weight:	126.18 g/mol
XLogP3:	1.2
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	126.01393598 g/mol
Monoisotopic Mass:	126.01393598 g/mol
Topological Polar Surface Area:	45.3 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	101
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

Acetanilide

Furfural

Methylparaben

Methylpyrrolidone

Ethylparaben

Methyl Salicylate

o-Phthalaldehyde

Phenylethyl Alcohol

alpha-Methylstyrene

1-Phenylethanol

Acetophenone

Methyl benzoate

Benzaldehyde

Styrene oxide

Benzothiazole

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (87.56%) Acute Tox. 3 (11.63%) Acute Tox. 4 (87.09%)
precautionary statement codes	P261, P262, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P405, and P501
hazard statements	H302 (87.56%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (11.63%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (87.09%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (87.09%): Harmful if inhaled [Warning Acute toxicity, inhalation]
hazards summary	Intraperitoneal LD50 (mouse) = 40 mg/kg. May cause irritation. Toxic by ingestion, inhalation, and skin absorption. See Thiophene.

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*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	1-thiophen-2-ylethanone
canonical smiles	CC(=O)C1=CC=CS1
inchi	InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
inchi key	WYJOVVXUZNRJQY-UHFFFAOYSA-N
molecular formula	C6H6OS
synonyms	2-ACETYLTHIOPHENE 88-15-3 1-thiophen-2-yl-ethanone 1-(2-Thienyl)ethanone 2-Acetothienone
Compound Description	2-Acetylthiophene is an aromatic ketone. 2-Acetylthiophene is a natural product found in Nicotiana tabacum and Coffea arabica with data available. 2-acetylthiophene is a metabolite found in or produced by Saccharomyces cerevisiae.

Computed Properties

Molecular Weight:	126.18 g/mol
XLogP3:	1.2
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	126.01393598 g/mol
Monoisotopic Mass:	126.01393598 g/mol
Topological Polar Surface Area:	45.3 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	101
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

Acetanilide

Furfural

Methylparaben

Methylpyrrolidone

Ethylparaben

Methyl Salicylate

o-Phthalaldehyde

Phenylethyl Alcohol

alpha-Methylstyrene

1-Phenylethanol

Acetophenone

Methyl benzoate

Benzaldehyde

Styrene oxide

Benzothiazole

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (87.56%) Acute Tox. 3 (11.63%) Acute Tox. 4 (87.09%)
precautionary statement codes	P261, P262, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P405, and P501
hazard statements	H302 (87.56%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (11.63%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (87.09%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (87.09%): Harmful if inhaled [Warning Acute toxicity, inhalation]
hazards summary	Intraperitoneal LD50 (mouse) = 40 mg/kg. May cause irritation. Toxic by ingestion, inhalation, and skin absorption. See Thiophene.

Product No: AB0480

2-Acetylthiophene, 98%

Product No: AB0480

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: AB0480

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?