1-methylsulfonylsulfanyldecane

C11H24O2S2 — CID 5225635

IUPAC1-methylsulfonylsulfanyldecane
SMILESCCCCCCCCCCSS(C)(=O)=O
InChIInChI=1S/C11H24O2S2/c1-3-4-5-6-7-8-9-10-11-14-15(2,12)13/h3-11H2,1-2H3
InChIKeyDOBVPKYSENAWGJ-UHFFFAOYSA-N
MW252.44 g/mol
LogP3.82
Rot. Bonds10

About 1-methylsulfonylsulfanyldecane

1-methylsulfonylsulfanyldecane (PubChem CID 5225635) has the molecular formula C11H24O2S2 and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-methylsulfonylsulfanyldecane.

Molecular Properties

Compound Name1-methylsulfonylsulfanyldecane
PubChem CID5225635
Molecular FormulaC11H24O2S2
Molecular Weight252.44 g/mol
Exact Mass252.12
IUPAC Name1-methylsulfonylsulfanyldecane
SMILESCCCCCCCCCCSS(C)(=O)=O
InChIInChI=1S/C11H24O2S2/c1-3-4-5-6-7-8-9-10-11-14-15(2,12)13/h3-11H2,1-2H3
InChIKeyDOBVPKYSENAWGJ-UHFFFAOYSA-N
XLogP3.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 53.82
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-methylsulfonylsulfanyldodecane
CID 3666466
trihexyl(6-methylsulfonylsulfanylhexyl)azanium bromide
CID 57369205
trihexyl(3-methylsulfonylsulfanylpropyl)azanium bromide
CID 71752782
1-sulfosulfanyldodecane
CID 10357698
potassium 1-sulfonatosulfanyldodecane
CID 23710489
1-pentylsulfanylsulfonylhexane
CID 89211517
1-hexylsulfonylsulfanylhexane
CID 13183990
triethyl(6-methylsulfonylsulfanylhexyl)azanium bromide
CID 46783166
heptane;methylsulfonylmethane
CID 176706405
1,2-bis(methylsulfonylsulfanyl)ethane
CID 564320
sodium;benzene;1-sulfonatosulfanyldodecane
CID 174431754
tris(2-methylpropyl)-(6-methylsulfonylsulfanylhexyl)azanium
CID 4099917

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylsulfanyldecane?
The IUPAC name of 1-methylsulfonylsulfanyldecane (CID 5225635) is 1-methylsulfonylsulfanyldecane.
What is the SMILES notation for 1-methylsulfonylsulfanyldecane?
The canonical SMILES for 1-methylsulfonylsulfanyldecane is CCCCCCCCCCSS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonylsulfanyldecane?
The InChIKey is DOBVPKYSENAWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S2/c1-3-4-5-6-7-8-9-10-11-14-15(2,12)13/h3-11H2,1-2H3.
What are the key properties of 1-methylsulfonylsulfanyldecane?
1-methylsulfonylsulfanyldecane has a molecular weight of 252.44 g/mol, XLogP of 3.82, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylsulfanyldecane is sourced from PubChem (CID 5225635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).