lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate

C12H21LiSSe — CID 134893980

IUPAClithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate
SMILESCC(C)C[Se]/C([S-])=C/C1CCCCC1.[Li+]
InChIInChI=1S/C12H22SSe.Li/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11;/h8,10-11,13H,3-7,9H2,1-2H3;/q;+1/p-1/b12-8+;
InChIKeyWHIHZEGUWARMLJ-MXZHIVQLSA-M
MW283.27 g/mol
LogP0.74
Rot. Bonds4

About lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate

lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate (PubChem CID 134893980) has the molecular formula C12H21LiSSe and a molecular weight of 283.27 g/mol. Its IUPAC name is lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate.

Molecular Properties

Compound Namelithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate
PubChem CID134893980
Molecular FormulaC12H21LiSSe
Molecular Weight283.27 g/mol
Exact Mass284.07
IUPAC Namelithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate
SMILESCC(C)C[Se]/C([S-])=C/C1CCCCC1.[Li+]
InChIInChI=1S/C12H22SSe.Li/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11;/h8,10-11,13H,3-7,9H2,1-2H3;/q;+1/p-1/b12-8+;
InChIKeyWHIHZEGUWARMLJ-MXZHIVQLSA-M
XLogP0.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

lithium (Z)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate
CID 134873087
lithium (Z)-1-(2-methylpropylselanyl)oct-1-ene-1-thiolate
CID 134873122
lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate
CID 134873206
lithium (E)-1-(2-methylpropylselanyl)oct-1-ene-1-thiolate
CID 134873312
[(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
(Z)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol
CID 134873088

Frequently Asked Questions

What is the IUPAC name of lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate?
The IUPAC name of lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate (CID 134893980) is lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate.
What is the SMILES notation for lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate?
The canonical SMILES for lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate is CC(C)C[Se]/C([S-])=C/C1CCCCC1.[Li+].
What is the InChIKey of lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate?
The InChIKey is WHIHZEGUWARMLJ-MXZHIVQLSA-M. The full InChI is InChI=1S/C12H22SSe.Li/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11;/h8,10-11,13H,3-7,9H2,1-2H3;/q;+1/p-1/b12-8+;.
What are the key properties of lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate?
lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate has a molecular weight of 283.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate is sourced from PubChem (CID 134893980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).