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MC3343

CAT: 0127-BUP20464-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP20464-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13679-74-8
Synonyms
MC 3343
Purity
=98%
Smiles
CC(=O)C1=CC=C(C)S1

Chemical Information

2-Acetyl-5-methylthiophene

2-acetyl-5-methylthiophene is a thiophene that is substituted by acetyl and methyl groups at positions 2 and 5, respectively. It has a role as a flavouring agent. It is a member of thiophenes, a methyl ketone and an aromatic ketone.

CAS Number13679-74-8
PubChem CID83655
IUPAC Name1-(5-methylthiophen-2-yl)ethanone
Molecular FormulaC7H8OS
Molecular Weight140.20
XLogP2
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity122
SMILES
CC1=CC=C(S1)C(=O)C
InChI
InChI=1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
InChIKey
YOSDTJYMDAEEAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetyl-5-methylthiophene
CAS: 13679-74-8
CID: 83655
Formula: C7H8OS
MW: 140.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.20
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass140.02958605
Monoisotopic Mass140.02958605
Topological Polar Surface Area45.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3602164MC3343
A24366-50MC3343 50mg
A24366-1MC3343 1mg
A24366-10MC3343 10mg
A24366-5MC3343 5mg

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