[(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane

C9H15BrS — CID 11207067

IUPAC[(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane
SMILESCS/C(Br)=C\C1CCCCC1
InChIInChI=1S/C9H15BrS/c1-11-9(10)7-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3/b9-7-
InChIKeyGMQNCDVIEUVSOT-CLFYSBASSA-N
MW235.19 g/mol
LogP4.17
Rot. Bonds2

About [(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane

[(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane (PubChem CID 11207067) has the molecular formula C9H15BrS and a molecular weight of 235.19 g/mol. Its IUPAC name is [(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane
PubChem CID11207067
Molecular FormulaC9H15BrS
Molecular Weight235.19 g/mol
Exact Mass234.01
IUPAC Name[(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane
SMILESCS/C(Br)=C\C1CCCCC1
InChIInChI=1S/C9H15BrS/c1-11-9(10)7-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3/b9-7-
InChIKeyGMQNCDVIEUVSOT-CLFYSBASSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane?
The IUPAC name of [(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane (CID 11207067) is [(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane.
What is the SMILES notation for [(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane?
The canonical SMILES for [(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane is CS/C(Br)=C\C1CCCCC1.
What is the InChIKey of [(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane?
The InChIKey is GMQNCDVIEUVSOT-CLFYSBASSA-N. The full InChI is InChI=1S/C9H15BrS/c1-11-9(10)7-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3/b9-7-.
What are the key properties of [(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane?
[(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane has a molecular weight of 235.19 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane is sourced from PubChem (CID 11207067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).