cyclohexane-1,4-dithiol

C6H12S2 — CID 18172212

IUPACcyclohexane-1,4-dithiol
SMILESSC1CCC(S)CC1
InChIInChI=1S/C6H12S2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2
InChIKeyQQKBIYRSRXCROF-UHFFFAOYSA-N
MW148.30 g/mol
LogP2.16
Rot. Bonds

About cyclohexane-1,4-dithiol

cyclohexane-1,4-dithiol (PubChem CID 18172212) has the molecular formula C6H12S2 and a molecular weight of 148.30 g/mol. Its IUPAC name is cyclohexane-1,4-dithiol.

Molecular Properties

Compound Namecyclohexane-1,4-dithiol
PubChem CID18172212
Molecular FormulaC6H12S2
Molecular Weight148.30 g/mol
Exact Mass148.04
IUPAC Namecyclohexane-1,4-dithiol
SMILESSC1CCC(S)CC1
InChIInChI=1S/C6H12S2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2
InChIKeyQQKBIYRSRXCROF-UHFFFAOYSA-N
XLogP2.16
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-Hexanedithiol
CID 14491
Cyclohexanethiol
CID 15290
1,1-Cyclohexanedithiol
CID 199242
Cyclohexane-1,2-dithiol
CID 5242646
(Methyldisulfanyl)cyclohexane
CID 13627491
2,3,5,6-Tetrathiocyclohexane
CID 129677638
(1R,2R)-Cyclohexane-1,2-dithiol
CID 12371419
cis-(1R,2S)-cyclohexane-1,2-dithiol
CID 12371420
Cyclohexyl-bis(sulfanylidene)-sulfido-lambda6-sulfane
CID 18339963
Cyclohexane-1,3,5-trithiol
CID 18538280
Hexane-1,2,6-trithiol
CID 19383027
Cyclohexane-1,2,3,4,5,6-hexathiol
CID 19809266

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,4-dithiol?
The IUPAC name of cyclohexane-1,4-dithiol (CID 18172212) is cyclohexane-1,4-dithiol.
What is the SMILES notation for cyclohexane-1,4-dithiol?
The canonical SMILES for cyclohexane-1,4-dithiol is SC1CCC(S)CC1.
What is the InChIKey of cyclohexane-1,4-dithiol?
The InChIKey is QQKBIYRSRXCROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2.
What are the key properties of cyclohexane-1,4-dithiol?
cyclohexane-1,4-dithiol has a molecular weight of 148.30 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,4-dithiol is sourced from PubChem (CID 18172212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).