[(E)-non-4-en-4-yl]sulfanylbenzene

C15H22S — CID 177448686

IUPAC[(E)-non-4-en-4-yl]sulfanylbenzene
SMILESCCCC/C=C(\CCC)Sc1ccccc1
InChIInChI=1S/C15H22S/c1-3-5-7-11-14(10-4-2)16-15-12-8-6-9-13-15/h6,8-9,11-13H,3-5,7,10H2,1-2H3/b14-11+
InChIKeyIPSFXBBRYZHJRZ-SDNWHVSQSA-N
MW234.41 g/mol
LogP5.65
Rot. Bonds7

About [(E)-non-4-en-4-yl]sulfanylbenzene

[(E)-non-4-en-4-yl]sulfanylbenzene (PubChem CID 177448686) has the molecular formula C15H22S and a molecular weight of 234.41 g/mol. Its IUPAC name is [(E)-non-4-en-4-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-non-4-en-4-yl]sulfanylbenzene
PubChem CID177448686
Molecular FormulaC15H22S
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Name[(E)-non-4-en-4-yl]sulfanylbenzene
SMILESCCCC/C=C(\CCC)Sc1ccccc1
InChIInChI=1S/C15H22S/c1-3-5-7-11-14(10-4-2)16-15-12-8-6-9-13-15/h6,8-9,11-13H,3-5,7,10H2,1-2H3/b14-11+
InChIKeyIPSFXBBRYZHJRZ-SDNWHVSQSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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)-nonadec-9-en-9-yl]sulfanylbenzene
CID 100973714
[(E)-tridec-6-en-6-yl]sulfanylbenzene
CID 102371655
[(Z)-hept-2-en-2-yl]sulfanylbenzene
CID 101384616
1-chlorooct-1-enylsulfanylbenzene
CID 73098028
[(Z)-1-phenylhept-1-enyl]sulfanylbenzene
CID 10924031
[(Z)-1-nitrohex-1-enyl]sulfanylbenzene
CID 14006135
[(Z)-1-phenylsulfanylundec-1-enyl]benzene
CID 134932780
5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene
CID 71368870
(E)-3-phenylsulfanyldec-2-enal
CID 15529409
[(Z)-hex-3-en-3-yl]sulfanylbenzene
CID 14935081
1-chloro-4-[(Z)-1-phenylsulfanyldec-1-en-2-yl]sulfanylbenzene
CID 134935365
tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane
CID 177466862

Frequently Asked Questions

What is the IUPAC name of [(E)-non-4-en-4-yl]sulfanylbenzene?
The IUPAC name of [(E)-non-4-en-4-yl]sulfanylbenzene (CID 177448686) is [(E)-non-4-en-4-yl]sulfanylbenzene.
What is the SMILES notation for [(E)-non-4-en-4-yl]sulfanylbenzene?
The canonical SMILES for [(E)-non-4-en-4-yl]sulfanylbenzene is CCCC/C=C(\CCC)Sc1ccccc1.
What is the InChIKey of [(E)-non-4-en-4-yl]sulfanylbenzene?
The InChIKey is IPSFXBBRYZHJRZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H22S/c1-3-5-7-11-14(10-4-2)16-15-12-8-6-9-13-15/h6,8-9,11-13H,3-5,7,10H2,1-2H3/b14-11+.
What are the key properties of [(E)-non-4-en-4-yl]sulfanylbenzene?
[(E)-non-4-en-4-yl]sulfanylbenzene has a molecular weight of 234.41 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-non-4-en-4-yl]sulfanylbenzene is sourced from PubChem (CID 177448686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).