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3-Tetradecylthiophene

CAT: 0024-sc-276421Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-276421Size:1 g
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CAS Number
110851-66-6

Chemical Information

3-Tetradecylthiophene
CAS Number110851-66-6
PubChem CID14900816
IUPAC Name3-tetradecylthiophene
Molecular FormulaC18H32S
Molecular Weight280.5
XLogP9.3
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Heavy Atom Count19
Formal Charge0
Complexity179
SMILES
CCCCCCCCCCCCCCC1=CSC=C1
InChI
InChI=1S/C18H32S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19-17-18/h15-17H,2-14H2,1H3
InChIKey
CAEIOINMYGTXNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Tetradecylthiophene
CAS: 110851-66-6
CID: 14900816
Formula: C18H32S
MW: 280.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.5
XLogP39.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Exact Mass280.22247219
Monoisotopic Mass280.22247219
Topological Polar Surface Area28.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity179
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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CatalogName
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