(cyclohexyltrisulfanyl)cyclohexane

C12H22S3 — CID 86176414

IUPAC(cyclohexyltrisulfanyl)cyclohexane
SMILESC1CCC(SSSC2CCCCC2)CC1
InChIInChI=1S/C12H22S3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyOKFHZGRWLIROGH-UHFFFAOYSA-N
MW262.51 g/mol
LogP5.68
Rot. Bonds4

About (cyclohexyltrisulfanyl)cyclohexane

(cyclohexyltrisulfanyl)cyclohexane (PubChem CID 86176414) has the molecular formula C12H22S3 and a molecular weight of 262.51 g/mol. Its IUPAC name is (cyclohexyltrisulfanyl)cyclohexane.

Molecular Properties

Compound Name(cyclohexyltrisulfanyl)cyclohexane
PubChem CID86176414
Molecular FormulaC12H22S3
Molecular Weight262.51 g/mol
Exact Mass262.09
IUPAC Name(cyclohexyltrisulfanyl)cyclohexane
SMILESC1CCC(SSSC2CCCCC2)CC1
InChIInChI=1S/C12H22S3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyOKFHZGRWLIROGH-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.51
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-tris(cyclohexyldisulfanyl)-1,3,5-triazine
CID 71413657
cyclohexyl thiohypochlorite
CID 174496435
disulfanylcyclododecane
CID 87475322
(cyclohexyldisulfanyl) dihydrogen phosphite
CID 87475230
hydroxysulfanylcyclohexane;hydrochloride
CID 70408617
(cyclopentyldisulfanyl)methylcyclopentane
CID 129169499
methanamine;methylsulfanylcyclohexane
CID 143239211
methyl (cyclohexyldisulfanyl)formate
CID 88806501
1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane
CID 162354954
1-chloro-4-(cyclohexyldisulfanyl)benzene
CID 164674408
1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol
CID 76563943
cyclohexylsulfanylmethanamine
CID 18729999

Frequently Asked Questions

What is the IUPAC name of (cyclohexyltrisulfanyl)cyclohexane?
The IUPAC name of (cyclohexyltrisulfanyl)cyclohexane (CID 86176414) is (cyclohexyltrisulfanyl)cyclohexane.
What is the SMILES notation for (cyclohexyltrisulfanyl)cyclohexane?
The canonical SMILES for (cyclohexyltrisulfanyl)cyclohexane is C1CCC(SSSC2CCCCC2)CC1.
What is the InChIKey of (cyclohexyltrisulfanyl)cyclohexane?
The InChIKey is OKFHZGRWLIROGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of (cyclohexyltrisulfanyl)cyclohexane?
(cyclohexyltrisulfanyl)cyclohexane has a molecular weight of 262.51 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexyltrisulfanyl)cyclohexane is sourced from PubChem (CID 86176414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).