lithium cyclohexanethiolate

C6H11LiS — CID 11137158

IUPAClithium cyclohexanethiolate
SMILES[Li+].[S-]C1CCCCC1
InChIInChI=1S/C6H12S.Li/c7-6-4-2-1-3-5-6;/h6-7H,1-5H2;/q;+1/p-1
InChIKeyQGZDXVVBGMHZBO-UHFFFAOYSA-M
MW122.16 g/mol
LogP-1.13
Rot. Bonds

About lithium cyclohexanethiolate

lithium cyclohexanethiolate (PubChem CID 11137158) has the molecular formula C6H11LiS and a molecular weight of 122.16 g/mol. Its IUPAC name is lithium cyclohexanethiolate.

Molecular Properties

Compound Namelithium cyclohexanethiolate
PubChem CID11137158
Molecular FormulaC6H11LiS
Molecular Weight122.16 g/mol
Exact Mass122.07
IUPAC Namelithium cyclohexanethiolate
SMILES[Li+].[S-]C1CCCCC1
InChIInChI=1S/C6H12S.Li/c7-6-4-2-1-3-5-6;/h6-7H,1-5H2;/q;+1/p-1
InChIKeyQGZDXVVBGMHZBO-UHFFFAOYSA-M
XLogP-1.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.16
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanethiol
CID 15290
Cyclohexanesulfenyl chloride
CID 87312
(Methyldisulfanyl)cyclohexane
CID 13627491
Potassium cyclohexanethiolate
CID 23688000
Sodium cyclohexanethiolate
CID 23688014
Cyclohexyl thiohypofluorite
CID 176085162
Silver(i) cyclohexanethiolate
CID 129699713
Cyclohexyl-bis(sulfanylidene)-sulfido-lambda6-sulfane
CID 18339963
Copper(1+);cyclohexanethiolate
CID 18994013
Cyclohexylsulfanyl thiohypochlorite
CID 20327307
Disulfanylcyclohexane
CID 20440095
Cyclohexanethiolate
CID 23432813

Frequently Asked Questions

What is the IUPAC name of lithium cyclohexanethiolate?
The IUPAC name of lithium cyclohexanethiolate (CID 11137158) is lithium cyclohexanethiolate.
What is the SMILES notation for lithium cyclohexanethiolate?
The canonical SMILES for lithium cyclohexanethiolate is [Li+].[S-]C1CCCCC1.
What is the InChIKey of lithium cyclohexanethiolate?
The InChIKey is QGZDXVVBGMHZBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12S.Li/c7-6-4-2-1-3-5-6;/h6-7H,1-5H2;/q;+1/p-1.
What are the key properties of lithium cyclohexanethiolate?
lithium cyclohexanethiolate has a molecular weight of 122.16 g/mol, XLogP of -1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyclohexanethiolate is sourced from PubChem (CID 11137158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).