(Z)-2-cyclohexyl-1-methylselanylethenethiol

C9H16SSe — CID 134873207

IUPAC(Z)-2-cyclohexyl-1-methylselanylethenethiol
SMILESC[Se]/C(S)=C\C1CCCCC1
InChIInChI=1S/C9H16SSe/c1-11-9(10)7-8-5-3-2-4-6-8/h7-8,10H,2-6H2,1H3/b9-7-
InChIKeyDILQYTPIJHEERT-CLFYSBASSA-N
MW235.25 g/mol
LogP3.09
Rot. Bonds2

About (Z)-2-cyclohexyl-1-methylselanylethenethiol

(Z)-2-cyclohexyl-1-methylselanylethenethiol (PubChem CID 134873207) has the molecular formula C9H16SSe and a molecular weight of 235.25 g/mol. Its IUPAC name is (Z)-2-cyclohexyl-1-methylselanylethenethiol.

Molecular Properties

Compound Name(Z)-2-cyclohexyl-1-methylselanylethenethiol
PubChem CID134873207
Molecular FormulaC9H16SSe
Molecular Weight235.25 g/mol
Exact Mass236.01
IUPAC Name(Z)-2-cyclohexyl-1-methylselanylethenethiol
SMILESC[Se]/C(S)=C\C1CCCCC1
InChIInChI=1S/C9H16SSe/c1-11-9(10)7-8-5-3-2-4-6-8/h7-8,10H,2-6H2,1H3/b9-7-
InChIKeyDILQYTPIJHEERT-CLFYSBASSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

lithium (Z)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate
CID 134873087
lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate
CID 134873206
lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate
CID 134893980
[(E)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane
CID 134919481
[(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane
CID 134919600
[(E)-2-ethylsulfanyl-2-(2-methylpropylselanyl)ethenyl]cyclohexane
CID 134919703
[(E)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane
CID 134919893
[(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane
CID 134923104
[(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane
CID 134923277
[(Z)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane
CID 134923315
1-(4-Methylcyclohexyl)ethenethiol
CID 144413639
1-Cyclohexylethenethiol;ethane
CID 178645885

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyclohexyl-1-methylselanylethenethiol?
The IUPAC name of (Z)-2-cyclohexyl-1-methylselanylethenethiol (CID 134873207) is (Z)-2-cyclohexyl-1-methylselanylethenethiol.
What is the SMILES notation for (Z)-2-cyclohexyl-1-methylselanylethenethiol?
The canonical SMILES for (Z)-2-cyclohexyl-1-methylselanylethenethiol is C[Se]/C(S)=C\C1CCCCC1.
What is the InChIKey of (Z)-2-cyclohexyl-1-methylselanylethenethiol?
The InChIKey is DILQYTPIJHEERT-CLFYSBASSA-N. The full InChI is InChI=1S/C9H16SSe/c1-11-9(10)7-8-5-3-2-4-6-8/h7-8,10H,2-6H2,1H3/b9-7-.
What are the key properties of (Z)-2-cyclohexyl-1-methylselanylethenethiol?
(Z)-2-cyclohexyl-1-methylselanylethenethiol has a molecular weight of 235.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyclohexyl-1-methylselanylethenethiol is sourced from PubChem (CID 134873207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).