1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol

C10H20O2S2 — CID 135080524

IUPAC1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol
SMILESCSC(C(O)C1CCCCC1)S(C)=O
InChIInChI=1S/C10H20O2S2/c1-13-10(14(2)12)9(11)8-6-4-3-5-7-8/h8-11H,3-7H2,1-2H3
InChIKeyCYADBQLZTRFDAM-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.00
Rot. Bonds4

About 1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol

1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol (PubChem CID 135080524) has the molecular formula C10H20O2S2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol
PubChem CID135080524
Molecular FormulaC10H20O2S2
Molecular Weight236.40 g/mol
Exact Mass236.09
IUPAC Name1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol
SMILESCSC(C(O)C1CCCCC1)S(C)=O
InChIInChI=1S/C10H20O2S2/c1-13-10(14(2)12)9(11)8-6-4-3-5-7-8/h8-11H,3-7H2,1-2H3
InChIKeyCYADBQLZTRFDAM-UHFFFAOYSA-N
XLogP2.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol?
The IUPAC name of 1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol (CID 135080524) is 1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol.
What is the SMILES notation for 1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol?
The canonical SMILES for 1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol is CSC(C(O)C1CCCCC1)S(C)=O.
What is the InChIKey of 1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol?
The InChIKey is CYADBQLZTRFDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S2/c1-13-10(14(2)12)9(11)8-6-4-3-5-7-8/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol?
1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol has a molecular weight of 236.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol is sourced from PubChem (CID 135080524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).