cyclohexane-1,2,3,4,5,6-hexathiol

C6H12S6 — CID 19809266

IUPACcyclohexane-1,2,3,4,5,6-hexathiol
SMILESSC1C(S)C(S)C(S)C(S)C1S
InChIInChI=1S/C6H12S6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
InChIKeyHRYPZAGIMSKDJW-UHFFFAOYSA-N
MW276.56 g/mol
LogP1.79
Rot. Bonds

About cyclohexane-1,2,3,4,5,6-hexathiol

cyclohexane-1,2,3,4,5,6-hexathiol (PubChem CID 19809266) has the molecular formula C6H12S6 and a molecular weight of 276.56 g/mol. Its IUPAC name is cyclohexane-1,2,3,4,5,6-hexathiol.

Molecular Properties

Compound Namecyclohexane-1,2,3,4,5,6-hexathiol
PubChem CID19809266
Molecular FormulaC6H12S6
Molecular Weight276.56 g/mol
Exact Mass275.93
IUPAC Namecyclohexane-1,2,3,4,5,6-hexathiol
SMILESSC1C(S)C(S)C(S)C(S)C1S
InChIInChI=1S/C6H12S6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
InChIKeyHRYPZAGIMSKDJW-UHFFFAOYSA-N
XLogP1.79
TPSA0.00 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.56
LogP ≤ 51.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexane-1,2-dithiol
CID 5242646
1,4-Dithiocyclohexane
CID 18172212
2,3,5,6-Tetrathiocyclohexane
CID 129677638
(1R,2R)-Cyclohexane-1,2-dithiol
CID 12371419
cis-(1R,2S)-cyclohexane-1,2-dithiol
CID 12371420
Cyclohexane-1,3,5-trithiol
CID 18538280
Cyclohexane-1,1,4-trithiol
CID 20475186
Cyclohexane-1,2,3-trithiol
CID 20568487
Cyclohexane-1,2,4-trithiol
CID 21752867
Cyclohexane-1,3-dithiol
CID 21900560
(2R)-cyclohexane-1,2-dithiol
CID 59281048
trans-(1S,2S)-cyclohexane-1,2-dithiol
CID 88809779

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2,3,4,5,6-hexathiol?
The IUPAC name of cyclohexane-1,2,3,4,5,6-hexathiol (CID 19809266) is cyclohexane-1,2,3,4,5,6-hexathiol.
What is the SMILES notation for cyclohexane-1,2,3,4,5,6-hexathiol?
The canonical SMILES for cyclohexane-1,2,3,4,5,6-hexathiol is SC1C(S)C(S)C(S)C(S)C1S.
What is the InChIKey of cyclohexane-1,2,3,4,5,6-hexathiol?
The InChIKey is HRYPZAGIMSKDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H.
What are the key properties of cyclohexane-1,2,3,4,5,6-hexathiol?
cyclohexane-1,2,3,4,5,6-hexathiol has a molecular weight of 276.56 g/mol, XLogP of 1.79, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2,3,4,5,6-hexathiol is sourced from PubChem (CID 19809266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).