chlorozinc(1+);2-methylsulfanylethenylcyclohexane

C9H15ClSZn — CID 134874013

IUPACchlorozinc(1+);2-methylsulfanylethenylcyclohexane
SMILESCS/[C-]=C\C1CCCCC1.Cl[Zn+]
InChIInChI=1S/C9H15S.ClH.Zn/c1-10-8-7-9-5-3-2-4-6-9;;/h7,9H,2-6H2,1H3;1H;/q-1;;+2/p-1
InChIKeyQIIYSWXVBOXHKF-UHFFFAOYSA-M
MW256.13 g/mol
LogP3.93
Rot. Bonds2

About chlorozinc(1+);2-methylsulfanylethenylcyclohexane

chlorozinc(1+);2-methylsulfanylethenylcyclohexane (PubChem CID 134874013) has the molecular formula C9H15ClSZn and a molecular weight of 256.13 g/mol. Its IUPAC name is chlorozinc(1+);2-methylsulfanylethenylcyclohexane.

Molecular Properties

Compound Namechlorozinc(1+);2-methylsulfanylethenylcyclohexane
PubChem CID134874013
Molecular FormulaC9H15ClSZn
Molecular Weight256.13 g/mol
Exact Mass253.99
IUPAC Namechlorozinc(1+);2-methylsulfanylethenylcyclohexane
SMILESCS/[C-]=C\C1CCCCC1.Cl[Zn+]
InChIInChI=1S/C9H15S.ClH.Zn/c1-10-8-7-9-5-3-2-4-6-9;;/h7,9H,2-6H2,1H3;1H;/q-1;;+2/p-1
InChIKeyQIIYSWXVBOXHKF-UHFFFAOYSA-M
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane
CID 134987328
[(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane
CID 11207067
[(E)-2-iodo-2-methylsulfanylethenyl]cyclohexane
CID 12063458
[(E)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane
CID 134919481
[(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane
CID 134919600
[(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane
CID 134923277
[(Z)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane
CID 134923315
(2-Iodo-2-methylsulfanylethenyl)cyclohexane
CID 85789582
CID 101181296
CID 101181296
CID 101181297
CID 101181297
CID 101181298
CID 101181298
CID 101181299
CID 101181299

Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);2-methylsulfanylethenylcyclohexane?
The IUPAC name of chlorozinc(1+);2-methylsulfanylethenylcyclohexane (CID 134874013) is chlorozinc(1+);2-methylsulfanylethenylcyclohexane.
What is the SMILES notation for chlorozinc(1+);2-methylsulfanylethenylcyclohexane?
The canonical SMILES for chlorozinc(1+);2-methylsulfanylethenylcyclohexane is CS/[C-]=C\C1CCCCC1.Cl[Zn+].
What is the InChIKey of chlorozinc(1+);2-methylsulfanylethenylcyclohexane?
The InChIKey is QIIYSWXVBOXHKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15S.ClH.Zn/c1-10-8-7-9-5-3-2-4-6-9;;/h7,9H,2-6H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);2-methylsulfanylethenylcyclohexane?
chlorozinc(1+);2-methylsulfanylethenylcyclohexane has a molecular weight of 256.13 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);2-methylsulfanylethenylcyclohexane is sourced from PubChem (CID 134874013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).