1-hexylsulfonylsulfanylhexane

C12H26O2S2 — CID 13183990

IUPAC1-hexylsulfonylsulfanylhexane
SMILESCCCCCCSS(=O)(=O)CCCCCC
InChIInChI=1S/C12H26O2S2/c1-3-5-7-9-11-15-16(13,14)12-10-8-6-4-2/h3-12H2,1-2H3
InChIKeyDXRWHSSFDJOQEH-UHFFFAOYSA-N
MW266.47 g/mol
LogP4.21
Rot. Bonds11

About 1-hexylsulfonylsulfanylhexane

1-hexylsulfonylsulfanylhexane (PubChem CID 13183990) has the molecular formula C12H26O2S2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-hexylsulfonylsulfanylhexane.

Molecular Properties

Compound Name1-hexylsulfonylsulfanylhexane
PubChem CID13183990
Molecular FormulaC12H26O2S2
Molecular Weight266.47 g/mol
Exact Mass266.14
IUPAC Name1-hexylsulfonylsulfanylhexane
SMILESCCCCCCSS(=O)(=O)CCCCCC
InChIInChI=1S/C12H26O2S2/c1-3-5-7-9-11-15-16(13,14)12-10-8-6-4-2/h3-12H2,1-2H3
InChIKeyDXRWHSSFDJOQEH-UHFFFAOYSA-N
XLogP4.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pentylsulfanylsulfonylhexane
CID 89211517
1-methylsulfonylsulfanyldodecane
CID 3666466
1-methylsulfonylsulfanyldecane
CID 5225635
1-sulfosulfanyldodecane
CID 10357698
potassium 1-sulfonatosulfanyldodecane
CID 23710489
hexylsulfonylsulfanylmethylbenzene
CID 21134927
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
sodium;benzene;1-sulfonatosulfanyldodecane
CID 174431754
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693
1-(octylsulfonylmethylsulfonyl)octane
CID 3455822
1-methylsulfonylnonane
CID 19089493

Frequently Asked Questions

What is the IUPAC name of 1-hexylsulfonylsulfanylhexane?
The IUPAC name of 1-hexylsulfonylsulfanylhexane (CID 13183990) is 1-hexylsulfonylsulfanylhexane.
What is the SMILES notation for 1-hexylsulfonylsulfanylhexane?
The canonical SMILES for 1-hexylsulfonylsulfanylhexane is CCCCCCSS(=O)(=O)CCCCCC.
What is the InChIKey of 1-hexylsulfonylsulfanylhexane?
The InChIKey is DXRWHSSFDJOQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2S2/c1-3-5-7-9-11-15-16(13,14)12-10-8-6-4-2/h3-12H2,1-2H3.
What are the key properties of 1-hexylsulfonylsulfanylhexane?
1-hexylsulfonylsulfanylhexane has a molecular weight of 266.47 g/mol, XLogP of 4.21, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylsulfonylsulfanylhexane is sourced from PubChem (CID 13183990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).