sodium cyclohexanethiolate

C6H11NaS — CID 23688014

IUPACsodium cyclohexanethiolate
SMILES[Na+].[S-]C1CCCCC1
InChIInChI=1S/C6H12S.Na/c7-6-4-2-1-3-5-6;/h6-7H,1-5H2;/q;+1/p-1
InChIKeyYBOHLJZJESCDJE-UHFFFAOYSA-M
MW138.21 g/mol
LogP-1.13
Rot. Bonds

About sodium cyclohexanethiolate

sodium cyclohexanethiolate (PubChem CID 23688014) has the molecular formula C6H11NaS and a molecular weight of 138.21 g/mol. Its IUPAC name is sodium cyclohexanethiolate.

Molecular Properties

Compound Namesodium cyclohexanethiolate
PubChem CID23688014
Molecular FormulaC6H11NaS
Molecular Weight138.21 g/mol
Exact Mass138.05
IUPAC Namesodium cyclohexanethiolate
SMILES[Na+].[S-]C1CCCCC1
InChIInChI=1S/C6H12S.Na/c7-6-4-2-1-3-5-6;/h6-7H,1-5H2;/q;+1/p-1
InChIKeyYBOHLJZJESCDJE-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 ≤ 500138.21
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
Lithium cyclohexanethiolate
CID 11137158
(Methyldisulfanyl)cyclohexane
CID 13627491
Potassium cyclohexanethiolate
CID 23688000
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 sodium cyclohexanethiolate?
The IUPAC name of sodium cyclohexanethiolate (CID 23688014) is sodium cyclohexanethiolate.
What is the SMILES notation for sodium cyclohexanethiolate?
The canonical SMILES for sodium cyclohexanethiolate is [Na+].[S-]C1CCCCC1.
What is the InChIKey of sodium cyclohexanethiolate?
The InChIKey is YBOHLJZJESCDJE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12S.Na/c7-6-4-2-1-3-5-6;/h6-7H,1-5H2;/q;+1/p-1.
What are the key properties of sodium cyclohexanethiolate?
sodium cyclohexanethiolate has a molecular weight of 138.21 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 sodium cyclohexanethiolate is sourced from PubChem (CID 23688014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).