2,2-bis(ethylsulfanyl)ethenylcyclohexane

C12H22S2 — CID 71354337

IUPAC2,2-bis(ethylsulfanyl)ethenylcyclohexane
SMILESCCSC(=CC1CCCCC1)SCC
InChIInChI=1S/C12H22S2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3
InChIKeyURXJLGNZBUQEEX-UHFFFAOYSA-N
MW230.44 g/mol
LogP4.91
Rot. Bonds5

About 2,2-bis(ethylsulfanyl)ethenylcyclohexane

2,2-bis(ethylsulfanyl)ethenylcyclohexane (PubChem CID 71354337) has the molecular formula C12H22S2 and a molecular weight of 230.44 g/mol. Its IUPAC name is 2,2-bis(ethylsulfanyl)ethenylcyclohexane.

Molecular Properties

Compound Name2,2-bis(ethylsulfanyl)ethenylcyclohexane
PubChem CID71354337
Molecular FormulaC12H22S2
Molecular Weight230.44 g/mol
Exact Mass230.12
IUPAC Name2,2-bis(ethylsulfanyl)ethenylcyclohexane
SMILESCCSC(=CC1CCCCC1)SCC
InChIInChI=1S/C12H22S2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3
InChIKeyURXJLGNZBUQEEX-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethylsulfanyl)ethenylcyclohexane?
The IUPAC name of 2,2-bis(ethylsulfanyl)ethenylcyclohexane (CID 71354337) is 2,2-bis(ethylsulfanyl)ethenylcyclohexane.
What is the SMILES notation for 2,2-bis(ethylsulfanyl)ethenylcyclohexane?
The canonical SMILES for 2,2-bis(ethylsulfanyl)ethenylcyclohexane is CCSC(=CC1CCCCC1)SCC.
What is the InChIKey of 2,2-bis(ethylsulfanyl)ethenylcyclohexane?
The InChIKey is URXJLGNZBUQEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2,2-bis(ethylsulfanyl)ethenylcyclohexane?
2,2-bis(ethylsulfanyl)ethenylcyclohexane has a molecular weight of 230.44 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethylsulfanyl)ethenylcyclohexane is sourced from PubChem (CID 71354337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).