1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane

C11H22S2 — CID 21044094

IUPAC1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane
SMILESCSC1CC(C)C(C)C(SC)C1C
InChIInChI=1S/C11H22S2/c1-7-6-10(12-4)9(3)11(13-5)8(7)2/h7-11H,6H2,1-5H3
InChIKeyPYOLAEIUSNTFOW-UHFFFAOYSA-N
MW218.43 g/mol
LogP3.76
Rot. Bonds2

About 1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane

1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane (PubChem CID 21044094) has the molecular formula C11H22S2 and a molecular weight of 218.43 g/mol. Its IUPAC name is 1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane.

Molecular Properties

Compound Name1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane
PubChem CID21044094
Molecular FormulaC11H22S2
Molecular Weight218.43 g/mol
Exact Mass218.12
IUPAC Name1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane
SMILESCSC1CC(C)C(C)C(SC)C1C
InChIInChI=1S/C11H22S2/c1-7-6-10(12-4)9(3)11(13-5)8(7)2/h7-11H,6H2,1-5H3
InChIKeyPYOLAEIUSNTFOW-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

p-Menth-3-yl methyl sulphide
CID 12326071
(1S,2S,4R)-4-methyl-2-methylsulfanyl-1-propan-2-ylcyclohexane
CID 12326074
Methyl(2-(4-methyl-3-(methylthio)cyclohexyl)propyl)sulfane
CID 134128385
Cyclohexane, 1-methyl-4-(1-methylethyl)-1,2-bis-(methylthio)
CID 6427461
Cyclohexane, cis-1-methyl-4-(1-methylethyl), 2,3-bis-(methylthio)
CID 6427462
Cyclohexane, trans-1-methyl-4-(1-methylethyl), 2,3-bis-(methylthio)
CID 6427463
4,8-Dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane
CID 20583873
2,3,4-Trimethyl-1,5-bis(methylsulfanyl)cyclohexane
CID 21044097
1-Methylsulfanyl-2-(methylsulfanylmethyl)-4-propylcyclohexane
CID 22081128
2-Ethyl-1-methylsulfanyl-4-propylcyclohexane
CID 22094141
2-Methyl-1-methylsulfanyl-4-propylcyclohexane
CID 23394361
1-Methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane
CID 23432810

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane?
The IUPAC name of 1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane (CID 21044094) is 1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane.
What is the SMILES notation for 1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane?
The canonical SMILES for 1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane is CSC1CC(C)C(C)C(SC)C1C.
What is the InChIKey of 1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane?
The InChIKey is PYOLAEIUSNTFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S2/c1-7-6-10(12-4)9(3)11(13-5)8(7)2/h7-11H,6H2,1-5H3.
What are the key properties of 1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane?
1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane has a molecular weight of 218.43 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane is sourced from PubChem (CID 21044094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).