2,2-bis(methylsulfanyl)ethylcyclohexane

C10H20S2 — CID 134929828

IUPAC2,2-bis(methylsulfanyl)ethylcyclohexane
SMILESCSC(CC1CCCCC1)SC
InChIInChI=1S/C10H20S2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3
InChIKeyQTXUZZMEQBCJST-UHFFFAOYSA-N
MW204.40 g/mol
LogP4.01
Rot. Bonds4

About 2,2-bis(methylsulfanyl)ethylcyclohexane

2,2-bis(methylsulfanyl)ethylcyclohexane (PubChem CID 134929828) has the molecular formula C10H20S2 and a molecular weight of 204.40 g/mol. Its IUPAC name is 2,2-bis(methylsulfanyl)ethylcyclohexane.

Molecular Properties

Compound Name2,2-bis(methylsulfanyl)ethylcyclohexane
PubChem CID134929828
Molecular FormulaC10H20S2
Molecular Weight204.40 g/mol
Exact Mass204.10
IUPAC Name2,2-bis(methylsulfanyl)ethylcyclohexane
SMILESCSC(CC1CCCCC1)SC
InChIInChI=1S/C10H20S2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3
InChIKeyQTXUZZMEQBCJST-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-Dithiaspiro(4.5)decane, 8-methyl-
CID 38769
6-Methyl-1,4-dithiaspiro(4.5)decane
CID 35791
1,4-Dithiaspiro(4.5)decane, 7-methyl-
CID 28570
2-[(2S,4S)-2,4-dimethyloctyl]-1,3-dithiane
CID 11265450
1,3-Dithiolane, 2-cyclohexyl-
CID 10943244
2-Cyclohexyl-1,3-dithiane
CID 11310203
Ethylsulfanylmethylcyclohexane
CID 13816501
2-Methylsulfanylethylcyclohexane
CID 14024904
1-Fluoro-4-(1-methylsulfanylethyl)cyclohexane
CID 155261580
1-(1-Ethylsulfanylethyl)-4-fluorocyclohexane
CID 169644346
3-Butylthiane
CID 568053
3-Methyl-7,11-dithiaspiro[5,5] undecane
CID 608738

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(methylsulfanyl)ethylcyclohexane?
The IUPAC name of 2,2-bis(methylsulfanyl)ethylcyclohexane (CID 134929828) is 2,2-bis(methylsulfanyl)ethylcyclohexane.
What is the SMILES notation for 2,2-bis(methylsulfanyl)ethylcyclohexane?
The canonical SMILES for 2,2-bis(methylsulfanyl)ethylcyclohexane is CSC(CC1CCCCC1)SC.
What is the InChIKey of 2,2-bis(methylsulfanyl)ethylcyclohexane?
The InChIKey is QTXUZZMEQBCJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 2,2-bis(methylsulfanyl)ethylcyclohexane?
2,2-bis(methylsulfanyl)ethylcyclohexane has a molecular weight of 204.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(methylsulfanyl)ethylcyclohexane is sourced from PubChem (CID 134929828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).