non-1-enylsulfanylbenzene

C15H22S — CID 72760837

IUPACnon-1-enylsulfanylbenzene
SMILESCCCCCCCC=CSc1ccccc1
InChIInChI=1S/C15H22S/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15/h8-14H,2-7H2,1H3
InChIKeyFOHVPXJMDPCRKO-UHFFFAOYSA-N
MW234.41 g/mol
LogP5.65
Rot. Bonds8

About non-1-enylsulfanylbenzene

non-1-enylsulfanylbenzene (PubChem CID 72760837) has the molecular formula C15H22S and a molecular weight of 234.41 g/mol. Its IUPAC name is non-1-enylsulfanylbenzene.

Molecular Properties

Compound Namenon-1-enylsulfanylbenzene
PubChem CID72760837
Molecular FormulaC15H22S
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Namenon-1-enylsulfanylbenzene
SMILESCCCCCCCC=CSc1ccccc1
InChIInChI=1S/C15H22S/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15/h8-14H,2-7H2,1H3
InChIKeyFOHVPXJMDPCRKO-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.41
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(Z)-pent-1-enyl]sulfanylbenzene
CID 10397364
octadec-2-enylsulfanylbenzene
CID 54280562
1,3-dimethyl-2-oct-1-enylsulfanylbenzene
CID 71416611
6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine
CID 135044251
[(E)-octadec-1-enyl]benzene
CID 22722345
dodec-4-enylbenzene
CID 54018856
nonadec-10-enylbenzene
CID 54264053
[(Z)-heptadec-10-enyl]benzene
CID 175397737
heptadec-4-enylbenzene
CID 173163087
1-dec-1-enylsulfanyldec-1-ene
CID 174687639
decyl-non-1-enyl-phenylsilane
CID 154074646
[(E)-oct-2-enyl]benzene
CID 13383320

Frequently Asked Questions

What is the IUPAC name of non-1-enylsulfanylbenzene?
The IUPAC name of non-1-enylsulfanylbenzene (CID 72760837) is non-1-enylsulfanylbenzene.
What is the SMILES notation for non-1-enylsulfanylbenzene?
The canonical SMILES for non-1-enylsulfanylbenzene is CCCCCCCC=CSc1ccccc1.
What is the InChIKey of non-1-enylsulfanylbenzene?
The InChIKey is FOHVPXJMDPCRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22S/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15/h8-14H,2-7H2,1H3.
What are the key properties of non-1-enylsulfanylbenzene?
non-1-enylsulfanylbenzene has a molecular weight of 234.41 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-enylsulfanylbenzene is sourced from PubChem (CID 72760837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).