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3-Hexadecylthiophene

CAT: 0024-sc-276251Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-276251Size:1 g
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CAS Number
119269-24-8

Chemical Information

3-Hexadecylthiophene
CAS Number119269-24-8
PubChem CID2769638
IUPAC Name3-hexadecylthiophene
Molecular FormulaC20H36S
Molecular Weight308.6
XLogP10.4
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Heavy Atom Count21
Formal Charge0
Complexity202
SMILES
CCCCCCCCCCCCCCCCC1=CSC=C1
InChI
InChI=1S/C20H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19-20/h17-19H,2-16H2,1H3
InChIKey
FRVZSODZVJPMKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hexadecylthiophene
CAS: 119269-24-8
CID: 2769638
Formula: C20H36S
MW: 308.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.6
XLogP310.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Exact Mass308.25377232
Monoisotopic Mass308.25377232
Topological Polar Surface Area28.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity202
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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