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5-Methyl-2-thiophenecarboxaldehyde

CAT: 0607-C6839-1000Size: 1 gDry Ice: NoHazardous: No
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CAT#:0607-C6839-1000Size:1 g
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CAS Number
13679-70-4
Product Name Alternative
5-methylthiophene-2-carbaldehyde
Field of Research
Acids and Aldehydes
Purity
0.9866
Solubility
≥20.3 mg/mL in DMSO; ≥25.2 mg/mL in EtOH; insoluble in H2O
Smiles
O=CC1=CC=C(S1)C
Molecular Formula
C6H6OS
Molecular Weight
126.18
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

5-Methyl-2-thiophenecarboxaldehyde

5-Methyl-2-thiophenecarboxaldehyde is a member of thiophenes.

CAS Number13679-70-4
PubChem CID61663
IUPAC Name5-methylthiophene-2-carbaldehyde
Molecular FormulaC6H6OS
Molecular Weight126.18
XLogP1.8
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity92
SMILES
CC1=CC=C(S1)C=O
InChI
InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
InChIKey
VAUMDUIUEPIGHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-2-thiophenecarboxaldehyde
CAS: 13679-70-4
CID: 61663
Formula: C6H6OS
MW: 126.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.18
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass126.01393598
Monoisotopic Mass126.01393598
Topological Polar Surface Area45.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity92.5
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

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Alternative Products

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