1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane

C12H24S2 — CID 22081128

IUPAC1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane
SMILESCCCC1CCC(SC)C(CSC)C1
InChIInChI=1S/C12H24S2/c1-4-5-10-6-7-12(14-3)11(8-10)9-13-2/h10-12H,4-9H2,1-3H3
InChIKeyUPYWMMSDROFTAD-UHFFFAOYSA-N
MW232.46 g/mol
LogP4.30
Rot. Bonds5

About 1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane

1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane (PubChem CID 22081128) has the molecular formula C12H24S2 and a molecular weight of 232.46 g/mol. Its IUPAC name is 1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane.

Molecular Properties

Compound Name1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane
PubChem CID22081128
Molecular FormulaC12H24S2
Molecular Weight232.46 g/mol
Exact Mass232.13
IUPAC Name1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane
SMILESCCCC1CCC(SC)C(CSC)C1
InChIInChI=1S/C12H24S2/c1-4-5-10-6-7-12(14-3)11(8-10)9-13-2/h10-12H,4-9H2,1-3H3
InChIKeyUPYWMMSDROFTAD-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane?
The IUPAC name of 1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane (CID 22081128) is 1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane.
What is the SMILES notation for 1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane?
The canonical SMILES for 1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane is CCCC1CCC(SC)C(CSC)C1.
What is the InChIKey of 1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane?
The InChIKey is UPYWMMSDROFTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S2/c1-4-5-10-6-7-12(14-3)11(8-10)9-13-2/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane?
1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane has a molecular weight of 232.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane is sourced from PubChem (CID 22081128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).