2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one

C8H14O2S2 — CID 11241207

IUPAC2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one
SMILESCSC1(S(C)=O)CCCCC1=O
InChIInChI=1S/C8H14O2S2/c1-11-8(12(2)10)6-4-3-5-7(8)9/h3-6H2,1-2H3
InChIKeyIVYIDAYPZVWIJC-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.57
Rot. Bonds2

About 2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one

2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one (PubChem CID 11241207) has the molecular formula C8H14O2S2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one.

Molecular Properties

Compound Name2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one
PubChem CID11241207
Molecular FormulaC8H14O2S2
Molecular Weight206.33 g/mol
Exact Mass206.04
IUPAC Name2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one
SMILESCSC1(S(C)=O)CCCCC1=O
InChIInChI=1S/C8H14O2S2/c1-11-8(12(2)10)6-4-3-5-7(8)9/h3-6H2,1-2H3
InChIKeyIVYIDAYPZVWIJC-UHFFFAOYSA-N
XLogP1.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one?
The IUPAC name of 2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one (CID 11241207) is 2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one.
What is the SMILES notation for 2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one?
The canonical SMILES for 2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one is CSC1(S(C)=O)CCCCC1=O.
What is the InChIKey of 2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one?
The InChIKey is IVYIDAYPZVWIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S2/c1-11-8(12(2)10)6-4-3-5-7(8)9/h3-6H2,1-2H3.
What are the key properties of 2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one?
2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one has a molecular weight of 206.33 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one is sourced from PubChem (CID 11241207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).