cyclohexanethiolate

C6H11S- — CID 23432813

IUPACcyclohexanethiolate
SMILES[S-]C1CCCCC1
InChIInChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2/p-1
InChIKeyCMKBCTPCXZNQKX-UHFFFAOYSA-M
MW115.22 g/mol
LogP1.87
Rot. Bonds

About cyclohexanethiolate

cyclohexanethiolate (PubChem CID 23432813) has the molecular formula C6H11S- and a molecular weight of 115.22 g/mol. Its IUPAC name is cyclohexanethiolate.

Molecular Properties

Compound Namecyclohexanethiolate
PubChem CID23432813
Molecular FormulaC6H11S-
Molecular Weight115.22 g/mol
Exact Mass115.06
IUPAC Namecyclohexanethiolate
SMILES[S-]C1CCCCC1
InChIInChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2/p-1
InChIKeyCMKBCTPCXZNQKX-UHFFFAOYSA-M
XLogP1.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.87
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
Cyclohexane-1,2-dithiol
CID 5242646
Cyclohexanesulfenyl chloride
CID 87312
Lithium cyclohexanethiolate
CID 11137158
(Methyldisulfanyl)cyclohexane
CID 13627491
1,4-Dithiocyclohexane
CID 18172212
3-Aminothionaphthen
CID 20164733
Potassium cyclohexanethiolate
CID 23688000
Sodium cyclohexanethiolate
CID 23688014
4-Fluorocyclohexane-1-thiol
CID 18471947
1-(Disulfanyl)-4-fluorocyclohexane
CID 87424436
3-Fluorocyclohexane-1-thiol
CID 87424640

Frequently Asked Questions

What is the IUPAC name of cyclohexanethiolate?
The IUPAC name of cyclohexanethiolate (CID 23432813) is cyclohexanethiolate.
What is the SMILES notation for cyclohexanethiolate?
The canonical SMILES for cyclohexanethiolate is [S-]C1CCCCC1.
What is the InChIKey of cyclohexanethiolate?
The InChIKey is CMKBCTPCXZNQKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2/p-1.
What are the key properties of cyclohexanethiolate?
cyclohexanethiolate has a molecular weight of 115.22 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanethiolate is sourced from PubChem (CID 23432813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).