lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate

C9H15LiSSe — CID 134873206

IUPAClithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate
SMILESC[Se]/C([S-])=C\C1CCCCC1.[Li+]
InChIInChI=1S/C9H16SSe.Li/c1-11-9(10)7-8-5-3-2-4-6-8;/h7-8,10H,2-6H2,1H3;/q;+1/p-1/b9-7-;
InChIKeyYNDSJFBMOUZGKF-VILQZVERSA-M
MW241.19 g/mol
LogP-0.29
Rot. Bonds2

About lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate

lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate (PubChem CID 134873206) has the molecular formula C9H15LiSSe and a molecular weight of 241.19 g/mol. Its IUPAC name is lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate.

Molecular Properties

Compound Namelithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate
PubChem CID134873206
Molecular FormulaC9H15LiSSe
Molecular Weight241.19 g/mol
Exact Mass242.02
IUPAC Namelithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate
SMILESC[Se]/C([S-])=C\C1CCCCC1.[Li+]
InChIInChI=1S/C9H16SSe.Li/c1-11-9(10)7-8-5-3-2-4-6-8;/h7-8,10H,2-6H2,1H3;/q;+1/p-1/b9-7-;
InChIKeyYNDSJFBMOUZGKF-VILQZVERSA-M
XLogP-0.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 5-0.29
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 (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
[(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane
CID 134923277
[(Z)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane
CID 134923315
2-Cyclohexylethenethione
CID 154234643
CID 101181299
CID 101181299
(Z)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol
CID 134873088
(Z)-2-cyclohexyl-1-methylselanylethenethiol
CID 134873207
(E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol
CID 134893981

Frequently Asked Questions

What is the IUPAC name of lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate?
The IUPAC name of lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate (CID 134873206) is lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate.
What is the SMILES notation for lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate?
The canonical SMILES for lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate is C[Se]/C([S-])=C\C1CCCCC1.[Li+].
What is the InChIKey of lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate?
The InChIKey is YNDSJFBMOUZGKF-VILQZVERSA-M. The full InChI is InChI=1S/C9H16SSe.Li/c1-11-9(10)7-8-5-3-2-4-6-8;/h7-8,10H,2-6H2,1H3;/q;+1/p-1/b9-7-;.
What are the key properties of lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate?
lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate has a molecular weight of 241.19 g/mol, XLogP of -0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate is sourced from PubChem (CID 134873206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).