cyclohexanethiol

C6H12S — CID 15290

IUPACcyclohexanethiol
SMILESSC1CCCCC1
InChIInChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyCMKBCTPCXZNQKX-UHFFFAOYSA-N
MW116.23 g/mol
LogP2.25
Rot. Bonds

About cyclohexanethiol

cyclohexanethiol (PubChem CID 15290) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is cyclohexanethiol.

Molecular Properties

Compound Namecyclohexanethiol
PubChem CID15290
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Namecyclohexanethiol
SMILESSC1CCCCC1
InChIInChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyCMKBCTPCXZNQKX-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Cyclohexane-1,2-dithiol
CID 5242646
Cyclohexanesulfenyl chloride
CID 87312
Lithium cyclohexanethiolate
CID 11137158
(Methyldisulfanyl)cyclohexane
CID 13627491
1,4-Dithiocyclohexane
CID 18172212
Potassium cyclohexanethiolate
CID 23688000
Sodium cyclohexanethiolate
CID 23688014
4-Fluorocyclohexane-1-thiol
CID 18471947
3-Fluorocyclohexane-1-thiol
CID 87424640
2-Fluorocyclohexane-1-thiol
CID 87425077
2,4,5-Trifluorocyclohexane-1-thiol
CID 146493403
cis-(1R,2S)-2-fluorocyclohexane-1-thiol
CID 160810726

Frequently Asked Questions

What is the IUPAC name of cyclohexanethiol?
The IUPAC name of cyclohexanethiol (CID 15290) is cyclohexanethiol.
What is the SMILES notation for cyclohexanethiol?
The canonical SMILES for cyclohexanethiol is SC1CCCCC1.
What is the InChIKey of cyclohexanethiol?
The InChIKey is CMKBCTPCXZNQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2.
What are the key properties of cyclohexanethiol?
cyclohexanethiol has a molecular weight of 116.23 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanethiol is sourced from PubChem (CID 15290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).