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2-Ethylthiophene

CAT: 0024-sc-230295Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-230295Size:25 g
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CAS Number
872-55-9

Chemical Information

2-Ethylthiophene
CAS Number872-55-9
PubChem CID13388
IUPAC Name2-ethylthiophene
Molecular FormulaC6H8S
Molecular Weight112.19
XLogP2.9
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity52
SMILES
CCC1=CC=CS1
InChI
InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
InChIKey
JCCCMAAJYSNBPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylthiophene
CAS: 872-55-9
CID: 13388
Formula: C6H8S
MW: 112.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.19
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass112.03467143
Monoisotopic Mass112.03467143
Topological Polar Surface Area28.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity52.1
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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