1-methylsulfanyl-1-methylsulfonylcyclohexane

C8H16O2S2 — CID 12759861

IUPAC1-methylsulfanyl-1-methylsulfonylcyclohexane
SMILESCSC1(S(C)(=O)=O)CCCCC1
InChIInChI=1S/C8H16O2S2/c1-11-8(12(2,9)10)6-4-3-5-7-8/h3-7H2,1-2H3
InChIKeyUPWKVVBJGFFQRV-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.05
Rot. Bonds2

About 1-methylsulfanyl-1-methylsulfonylcyclohexane

1-methylsulfanyl-1-methylsulfonylcyclohexane (PubChem CID 12759861) has the molecular formula C8H16O2S2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-methylsulfanyl-1-methylsulfonylcyclohexane.

Molecular Properties

Compound Name1-methylsulfanyl-1-methylsulfonylcyclohexane
PubChem CID12759861
Molecular FormulaC8H16O2S2
Molecular Weight208.35 g/mol
Exact Mass208.06
IUPAC Name1-methylsulfanyl-1-methylsulfonylcyclohexane
SMILESCSC1(S(C)(=O)=O)CCCCC1
InChIInChI=1S/C8H16O2S2/c1-11-8(12(2,9)10)6-4-3-5-7-8/h3-7H2,1-2H3
InChIKeyUPWKVVBJGFFQRV-UHFFFAOYSA-N
XLogP2.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-1-methylsulfonylcyclohexane?
The IUPAC name of 1-methylsulfanyl-1-methylsulfonylcyclohexane (CID 12759861) is 1-methylsulfanyl-1-methylsulfonylcyclohexane.
What is the SMILES notation for 1-methylsulfanyl-1-methylsulfonylcyclohexane?
The canonical SMILES for 1-methylsulfanyl-1-methylsulfonylcyclohexane is CSC1(S(C)(=O)=O)CCCCC1.
What is the InChIKey of 1-methylsulfanyl-1-methylsulfonylcyclohexane?
The InChIKey is UPWKVVBJGFFQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S2/c1-11-8(12(2,9)10)6-4-3-5-7-8/h3-7H2,1-2H3.
What are the key properties of 1-methylsulfanyl-1-methylsulfonylcyclohexane?
1-methylsulfanyl-1-methylsulfonylcyclohexane has a molecular weight of 208.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-1-methylsulfonylcyclohexane is sourced from PubChem (CID 12759861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).