methyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane

C11H22S — CID 144526617

IUPACmethyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane
SMILESC=S(=C)(C)CC1CCCC[C@@H]1C
InChIInChI=1S/C11H22S/c1-10-7-5-6-8-11(10)9-12(2,3)4/h10-11H,2-3,5-9H2,1,4H3/t10-,11?/m0/s1
InChIKeyXKZFZEGJSWBYOU-VUWPPUDQSA-N
MW186.36 g/mol
LogP3.11
Rot. Bonds2

About methyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane

methyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane (PubChem CID 144526617) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is methyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane.

Molecular Properties

Compound Namemethyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane
PubChem CID144526617
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Namemethyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane
SMILESC=S(=C)(C)CC1CCCC[C@@H]1C
InChIInChI=1S/C11H22S/c1-10-7-5-6-8-11(10)9-12(2,3)4/h10-11H,2-3,5-9H2,1,4H3/t10-,11?/m0/s1
InChIKeyXKZFZEGJSWBYOU-VUWPPUDQSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
(2-methylcyclodecyl)methanamine
CID 163635360
(2-methylcyclopentyl)methanesulfonyl chloride
CID 84667340
(2-methylcyclopentyl)methanesulfonic acid
CID 19042340
cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane
CID 124509523
2-[(2R)-2-methylcyclononyl]ethanamine
CID 139362460
1-methyl-2-prop-2-enylcyclohexane
CID 15643404
carbanide;cyclopentane;ethane;1-ethyl-2-methylcyclopentane;iron(2+)
CID 162283607
1-methyl-2-[(2-methylcyclopentyl)methyl]cyclopentane
CID 148598305
ethene;2-methylcyclohexan-1-amine
CID 142086710

Frequently Asked Questions

What is the IUPAC name of methyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane?
The IUPAC name of methyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane (CID 144526617) is methyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane.
What is the SMILES notation for methyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane?
The canonical SMILES for methyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane is C=S(=C)(C)CC1CCCC[C@@H]1C.
What is the InChIKey of methyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane?
The InChIKey is XKZFZEGJSWBYOU-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H22S/c1-10-7-5-6-8-11(10)9-12(2,3)4/h10-11H,2-3,5-9H2,1,4H3/t10-,11?/m0/s1.
What are the key properties of methyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane?
methyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane has a molecular weight of 186.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane is sourced from PubChem (CID 144526617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).