2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one

C10H18O2S2 — CID 134986032

IUPAC2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one
SMILESCC(C)SC1(S(C)=O)CCCCC1=O
InChIInChI=1S/C10H18O2S2/c1-8(2)13-10(14(3)12)7-5-4-6-9(10)11/h8H,4-7H2,1-3H3
InChIKeyHNWBSGABGBNMDH-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.35
Rot. Bonds3

About 2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one

2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one (PubChem CID 134986032) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one.

Molecular Properties

Compound Name2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one
PubChem CID134986032
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one
SMILESCC(C)SC1(S(C)=O)CCCCC1=O
InChIInChI=1S/C10H18O2S2/c1-8(2)13-10(14(3)12)7-5-4-6-9(10)11/h8H,4-7H2,1-3H3
InChIKeyHNWBSGABGBNMDH-UHFFFAOYSA-N
XLogP2.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one?
The IUPAC name of 2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one (CID 134986032) is 2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one.
What is the SMILES notation for 2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one?
The canonical SMILES for 2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one is CC(C)SC1(S(C)=O)CCCCC1=O.
What is the InChIKey of 2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one?
The InChIKey is HNWBSGABGBNMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S2/c1-8(2)13-10(14(3)12)7-5-4-6-9(10)11/h8H,4-7H2,1-3H3.
What are the key properties of 2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one?
2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one has a molecular weight of 234.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-2-propan-2-ylsulfanylcyclohexan-1-one is sourced from PubChem (CID 134986032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).