3,5-bis(sulfanyl)cyclohexan-1-ol

C6H12OS2 — CID 87063690

IUPAC3,5-bis(sulfanyl)cyclohexan-1-ol
SMILESOC1CC(S)CC(S)C1
InChIInChI=1S/C6H12OS2/c7-4-1-5(8)3-6(9)2-4/h4-9H,1-3H2
InChIKeyHLCWSFZOWIYTER-UHFFFAOYSA-N
MW164.29 g/mol
LogP1.13
Rot. Bonds

About 3,5-bis(sulfanyl)cyclohexan-1-ol

3,5-bis(sulfanyl)cyclohexan-1-ol (PubChem CID 87063690) has the molecular formula C6H12OS2 and a molecular weight of 164.29 g/mol. Its IUPAC name is 3,5-bis(sulfanyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-bis(sulfanyl)cyclohexan-1-ol
PubChem CID87063690
Molecular FormulaC6H12OS2
Molecular Weight164.29 g/mol
Exact Mass164.03
IUPAC Name3,5-bis(sulfanyl)cyclohexan-1-ol
SMILESOC1CC(S)CC(S)C1
InChIInChI=1S/C6H12OS2/c7-4-1-5(8)3-6(9)2-4/h4-9H,1-3H2
InChIKeyHLCWSFZOWIYTER-UHFFFAOYSA-N
XLogP1.13
TPSA20.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(sulfanyl)cyclohexan-1-ol?
The IUPAC name of 3,5-bis(sulfanyl)cyclohexan-1-ol (CID 87063690) is 3,5-bis(sulfanyl)cyclohexan-1-ol.
What is the SMILES notation for 3,5-bis(sulfanyl)cyclohexan-1-ol?
The canonical SMILES for 3,5-bis(sulfanyl)cyclohexan-1-ol is OC1CC(S)CC(S)C1.
What is the InChIKey of 3,5-bis(sulfanyl)cyclohexan-1-ol?
The InChIKey is HLCWSFZOWIYTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS2/c7-4-1-5(8)3-6(9)2-4/h4-9H,1-3H2.
What are the key properties of 3,5-bis(sulfanyl)cyclohexan-1-ol?
3,5-bis(sulfanyl)cyclohexan-1-ol has a molecular weight of 164.29 g/mol, XLogP of 1.13, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(sulfanyl)cyclohexan-1-ol is sourced from PubChem (CID 87063690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).