5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene

C20H24S2 — CID 71368870

IUPAC5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene
SMILESCCCC(Sc1ccccc1)=C(CCC)Sc1ccccc1
InChIInChI=1S/C20H24S2/c1-3-11-19(21-17-13-7-5-8-14-17)20(12-4-2)22-18-15-9-6-10-16-18/h5-10,13-16H,3-4,11-12H2,1-2H3
InChIKeyKEDBSQXEDBMOGK-UHFFFAOYSA-N
MW328.55 g/mol
LogP7.38
Rot. Bonds8

About 5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene

5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene (PubChem CID 71368870) has the molecular formula C20H24S2 and a molecular weight of 328.55 g/mol. Its IUPAC name is 5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene.

Molecular Properties

Compound Name5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene
PubChem CID71368870
Molecular FormulaC20H24S2
Molecular Weight328.55 g/mol
Exact Mass328.13
IUPAC Name5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene
SMILESCCCC(Sc1ccccc1)=C(CCC)Sc1ccccc1
InChIInChI=1S/C20H24S2/c1-3-11-19(21-17-13-7-5-8-14-17)20(12-4-2)22-18-15-9-6-10-16-18/h5-10,13-16H,3-4,11-12H2,1-2H3
InChIKeyKEDBSQXEDBMOGK-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.55
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene
CID 14792832
[(E)-non-4-en-4-yl]sulfanylbenzene
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1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene
CID 2755609
phenyl N,N-dipropylcarbamodithioate
CID 132502476
1-[(E)-5-bromooct-4-en-4-yl]sulfanyl-4-methoxybenzene
CID 102577509
[(Z)-3-pentyl-4-phenylsulfanylnon-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 139252406
[(Z)-hept-2-en-2-yl]sulfanylbenzene
CID 101384616
[(E)-tridec-6-en-6-yl]sulfanylbenzene
CID 102371655
[(Z)-nonadec-9-en-9-yl]sulfanylbenzene
CID 100973714
[(Z)-hex-3-en-3-yl]sulfanylbenzene
CID 14935081
1-S,8-S-diphenyl octanebis(thioate)
CID 587568
(E)-3-phenylsulfanyldec-2-enal
CID 15529409

Frequently Asked Questions

What is the IUPAC name of 5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene?
The IUPAC name of 5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene (CID 71368870) is 5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene.
What is the SMILES notation for 5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene?
The canonical SMILES for 5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene is CCCC(Sc1ccccc1)=C(CCC)Sc1ccccc1.
What is the InChIKey of 5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene?
The InChIKey is KEDBSQXEDBMOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24S2/c1-3-11-19(21-17-13-7-5-8-14-17)20(12-4-2)22-18-15-9-6-10-16-18/h5-10,13-16H,3-4,11-12H2,1-2H3.
What are the key properties of 5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene?
5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene has a molecular weight of 328.55 g/mol, XLogP of 7.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene is sourced from PubChem (CID 71368870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).