1-methyl-2-methylsulfanylcyclohexane

C8H16S — CID 18711396

IUPAC1-methyl-2-methylsulfanylcyclohexane
SMILESCSC1CCCCC1C
InChIInChI=1S/C8H16S/c1-7-5-3-4-6-8(7)9-2/h7-8H,3-6H2,1-2H3
InChIKeyNQRJJQBMVKSEJR-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.93
Rot. Bonds1

About 1-methyl-2-methylsulfanylcyclohexane

1-methyl-2-methylsulfanylcyclohexane (PubChem CID 18711396) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanylcyclohexane.

Molecular Properties

Compound Name1-methyl-2-methylsulfanylcyclohexane
PubChem CID18711396
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name1-methyl-2-methylsulfanylcyclohexane
SMILESCSC1CCCCC1C
InChIInChI=1S/C8H16S/c1-7-5-3-4-6-8(7)9-2/h7-8H,3-6H2,1-2H3
InChIKeyNQRJJQBMVKSEJR-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Methyl-1,4-dithiaspiro(4.5)decane
CID 35791
p-Menth-3-yl methyl sulphide
CID 12326071
Ethylsulfanylmethylcyclohexane
CID 13816501
2-Methylsulfanylethylcyclohexane
CID 14024904
3-((Ethylthio)methyl)heptane
CID 3018181
[Fluoro(methylsulfanyl)methyl]cyclohexane
CID 89207462
(2-Fluoro-3-methylcyclohexyl)-methyl-methylidene-lambda4-sulfane
CID 123166616
(2-Fluoro-4-methylcyclohexyl)-methyl-methylidene-lambda4-sulfane
CID 123827990
1,3-Difluoro-2-(propan-2-ylsulfanylmethyl)cyclohexane
CID 145832917
1-Fluoro-4-(propan-2-ylsulfanylmethyl)cyclohexane
CID 145832964
2-(Butan-2-ylsulfanylmethyl)-1,3-difluorocyclohexane
CID 145833030
1-Fluoro-4-(1-methylsulfanylethyl)cyclohexane
CID 155261580

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanylcyclohexane?
The IUPAC name of 1-methyl-2-methylsulfanylcyclohexane (CID 18711396) is 1-methyl-2-methylsulfanylcyclohexane.
What is the SMILES notation for 1-methyl-2-methylsulfanylcyclohexane?
The canonical SMILES for 1-methyl-2-methylsulfanylcyclohexane is CSC1CCCCC1C.
What is the InChIKey of 1-methyl-2-methylsulfanylcyclohexane?
The InChIKey is NQRJJQBMVKSEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-7-5-3-4-6-8(7)9-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-methyl-2-methylsulfanylcyclohexane?
1-methyl-2-methylsulfanylcyclohexane has a molecular weight of 144.28 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfanylcyclohexane is sourced from PubChem (CID 18711396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).