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4-Propyldibenzothiophene

CAT: 0024-sc-476850Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-476850Size:250 mg
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CAS Number
132034-86-7

Chemical Information

4-Propyldibenzothiophene
CAS Number132034-86-7
PubChem CID3587770
IUPAC Name4-propyldibenzothiophene
Molecular FormulaC15H14S
Molecular Weight226.3
XLogP5.6
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity238
SMILES
CCCC1=C2C(=CC=C1)C3=CC=CC=C3S2
InChI
InChI=1S/C15H14S/c1-2-6-11-7-5-9-13-12-8-3-4-10-14(12)16-15(11)13/h3-5,7-10H,2,6H2,1H3
InChIKey
KVKWMMBQRSCLOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Propyldibenzothiophene
CAS: 132034-86-7
CID: 3587770
Formula: C15H14S
MW: 226.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.3
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass226.08162162
Monoisotopic Mass226.08162162
Topological Polar Surface Area28.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity238
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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