6-(benzenesulfinyl)hexylsulfinylbenzene

C18H22O2S2 — CID 15525512

IUPAC6-(benzenesulfinyl)hexylsulfinylbenzene
SMILESO=S(CCCCCCS(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2S2/c19-21(17-11-5-3-6-12-17)15-9-1-2-10-16-22(20)18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2
InChIKeyWSQQSRUMZDBJJO-UHFFFAOYSA-N
MW334.51 g/mol
LogP4.16
Rot. Bonds9

About 6-(benzenesulfinyl)hexylsulfinylbenzene

6-(benzenesulfinyl)hexylsulfinylbenzene (PubChem CID 15525512) has the molecular formula C18H22O2S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 6-(benzenesulfinyl)hexylsulfinylbenzene.

Molecular Properties

Compound Name6-(benzenesulfinyl)hexylsulfinylbenzene
PubChem CID15525512
Molecular FormulaC18H22O2S2
Molecular Weight334.51 g/mol
Exact Mass334.11
IUPAC Name6-(benzenesulfinyl)hexylsulfinylbenzene
SMILESO=S(CCCCCCS(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2S2/c19-21(17-11-5-3-6-12-17)15-9-1-2-10-16-22(20)18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2
InChIKeyWSQQSRUMZDBJJO-UHFFFAOYSA-N
XLogP4.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfinyl)hexylsulfinylbenzene?
The IUPAC name of 6-(benzenesulfinyl)hexylsulfinylbenzene (CID 15525512) is 6-(benzenesulfinyl)hexylsulfinylbenzene.
What is the SMILES notation for 6-(benzenesulfinyl)hexylsulfinylbenzene?
The canonical SMILES for 6-(benzenesulfinyl)hexylsulfinylbenzene is O=S(CCCCCCS(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(benzenesulfinyl)hexylsulfinylbenzene?
The InChIKey is WSQQSRUMZDBJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2S2/c19-21(17-11-5-3-6-12-17)15-9-1-2-10-16-22(20)18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2.
What are the key properties of 6-(benzenesulfinyl)hexylsulfinylbenzene?
6-(benzenesulfinyl)hexylsulfinylbenzene has a molecular weight of 334.51 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfinyl)hexylsulfinylbenzene is sourced from PubChem (CID 15525512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).