ethane;1-methyl-4-methylsulfanylcyclohexane

C12H28S — CID 144625418

IUPACethane;1-methyl-4-methylsulfanylcyclohexane
SMILESCC.CC.CSC1CCC(C)CC1
InChIInChI=1S/C8H16S.2C2H6/c1-7-3-5-8(9-2)6-4-7;2*1-2/h7-8H,3-6H2,1-2H3;2*1-2H3
InChIKeyKEDYWVVBPSIELB-UHFFFAOYSA-N
MW204.42 g/mol
LogP4.98
Rot. Bonds1

About ethane;1-methyl-4-methylsulfanylcyclohexane

ethane;1-methyl-4-methylsulfanylcyclohexane (PubChem CID 144625418) has the molecular formula C12H28S and a molecular weight of 204.42 g/mol. Its IUPAC name is ethane;1-methyl-4-methylsulfanylcyclohexane.

Molecular Properties

Compound Nameethane;1-methyl-4-methylsulfanylcyclohexane
PubChem CID144625418
Molecular FormulaC12H28S
Molecular Weight204.42 g/mol
Exact Mass204.19
IUPAC Nameethane;1-methyl-4-methylsulfanylcyclohexane
SMILESCC.CC.CSC1CCC(C)CC1
InChIInChI=1S/C8H16S.2C2H6/c1-7-3-5-8(9-2)6-4-7;2*1-2/h7-8H,3-6H2,1-2H3;2*1-2H3
InChIKeyKEDYWVVBPSIELB-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methylsulfanylcyclopropane
CID 12678402
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
ethane;methylcyclopropane
CID 158329065
1-cyclopentyl-4-methylsulfanylcyclohexane
CID 152799739
ethane;methane;methylcyclopropane
CID 159551011
bis(1,4-dimethylcyclohexane);methane
CID 161326462
1-methyl-4-propan-2-ylsulfanylcyclohexane
CID 59881971
1-ethylsulfanyl-4-methylcyclohexane
CID 118564055
1,4-dimethylcyclohexane;methanol
CID 70358527
cyclobutane;ethane;methylcyclopropane
CID 143875535
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
methanamine;methylsulfanylcyclohexane
CID 143239211

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-methylsulfanylcyclohexane?
The IUPAC name of ethane;1-methyl-4-methylsulfanylcyclohexane (CID 144625418) is ethane;1-methyl-4-methylsulfanylcyclohexane.
What is the SMILES notation for ethane;1-methyl-4-methylsulfanylcyclohexane?
The canonical SMILES for ethane;1-methyl-4-methylsulfanylcyclohexane is CC.CC.CSC1CCC(C)CC1.
What is the InChIKey of ethane;1-methyl-4-methylsulfanylcyclohexane?
The InChIKey is KEDYWVVBPSIELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S.2C2H6/c1-7-3-5-8(9-2)6-4-7;2*1-2/h7-8H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-methylsulfanylcyclohexane?
ethane;1-methyl-4-methylsulfanylcyclohexane has a molecular weight of 204.42 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-methylsulfanylcyclohexane is sourced from PubChem (CID 144625418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).