1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane

C12H24S2 — CID 134128385

IUPAC1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane
SMILESCSCC(C)C1CCC(C)C(SC)C1
InChIInChI=1S/C12H24S2/c1-9-5-6-11(7-12(9)14-4)10(2)8-13-3/h9-12H,5-8H2,1-4H3
InChIKeyDCSVWGKVLFQMOP-UHFFFAOYSA-N
MW232.46 g/mol
LogP4.15
Rot. Bonds4

About 1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane

1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane (PubChem CID 134128385) has the molecular formula C12H24S2 and a molecular weight of 232.46 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane
PubChem CID134128385
Molecular FormulaC12H24S2
Molecular Weight232.46 g/mol
Exact Mass232.13
IUPAC Name1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane
SMILESCSCC(C)C1CCC(C)C(SC)C1
InChIInChI=1S/C12H24S2/c1-9-5-6-11(7-12(9)14-4)10(2)8-13-3/h9-12H,5-8H2,1-4H3
InChIKeyDCSVWGKVLFQMOP-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane?
The IUPAC name of 1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane (CID 134128385) is 1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane.
What is the SMILES notation for 1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane?
The canonical SMILES for 1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane is CSCC(C)C1CCC(C)C(SC)C1.
What is the InChIKey of 1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane?
The InChIKey is DCSVWGKVLFQMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S2/c1-9-5-6-11(7-12(9)14-4)10(2)8-13-3/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane?
1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane has a molecular weight of 232.46 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfanyl-4-(1-methylsulfanylpropan-2-yl)cyclohexane is sourced from PubChem (CID 134128385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).