[(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane

C9H15IS — CID 134987328

IUPAC[(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane
SMILESCS/C(I)=C/C1CCCCC1
InChIInChI=1S/C9H15IS/c1-11-9(10)7-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3/b9-7+
InChIKeyHVYFQTCEDFGVSI-VQHVLOKHSA-N
MW282.19 g/mol
LogP4.21
Rot. Bonds2

About [(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane

[(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane (PubChem CID 134987328) has the molecular formula C9H15IS and a molecular weight of 282.19 g/mol. Its IUPAC name is [(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane
PubChem CID134987328
Molecular FormulaC9H15IS
Molecular Weight282.19 g/mol
Exact Mass281.99
IUPAC Name[(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane
SMILESCS/C(I)=C/C1CCCCC1
InChIInChI=1S/C9H15IS/c1-11-9(10)7-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3/b9-7+
InChIKeyHVYFQTCEDFGVSI-VQHVLOKHSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene
CID 12063455
[(E)-2-iodo-2-methylsulfanylethenyl]cyclohexane
CID 12063458
Chlorozinc(1+);2-methylsulfanylethenylcyclohexane
CID 134874013
(2-Iodo-2-methylsulfanylethenyl)cyclohexane
CID 85789582
CID 101181298
CID 101181298
CID 101181299
CID 101181299
(Z)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene
CID 177426508

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane?
The IUPAC name of [(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane (CID 134987328) is [(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane.
What is the SMILES notation for [(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane?
The canonical SMILES for [(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane is CS/C(I)=C/C1CCCCC1.
What is the InChIKey of [(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane?
The InChIKey is HVYFQTCEDFGVSI-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H15IS/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 [(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane?
[(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane has a molecular weight of 282.19 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane is sourced from PubChem (CID 134987328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).