disulfanylcyclododecane

C12H24S2 — CID 87475322

IUPACdisulfanylcyclododecane
SMILESSSC1CCCCCCCCCCC1
InChIInChI=1S/C12H24S2/c13-14-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2
InChIKeyPKRRWQDTVKOCAF-UHFFFAOYSA-N
MW232.46 g/mol
LogP5.24
Rot. Bonds1

About disulfanylcyclododecane

disulfanylcyclododecane (PubChem CID 87475322) has the molecular formula C12H24S2 and a molecular weight of 232.46 g/mol. Its IUPAC name is disulfanylcyclododecane.

Molecular Properties

Compound Namedisulfanylcyclododecane
PubChem CID87475322
Molecular FormulaC12H24S2
Molecular Weight232.46 g/mol
Exact Mass232.13
IUPAC Namedisulfanylcyclododecane
SMILESSSC1CCCCCCCCCCC1
InChIInChI=1S/C12H24S2/c13-14-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2
InChIKeyPKRRWQDTVKOCAF-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze disulfanylcyclododecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(disulfanyl)-4-fluorocyclohexane
CID 87424436
1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol
CID 76563943
cyclohexyl thiohypochlorite
CID 174496435
(cyclohexyltrisulfanyl)cyclohexane
CID 86176414
hydroxysulfanylcyclohexane;hydrochloride
CID 70408617
2-cyclohexylsulfanylethanethiol
CID 12594005
1-cyclohexylsulfanylethanamine
CID 22450260
methanamine;methylsulfanylcyclohexane
CID 143239211
ethylsulfanylcycloheptane
CID 67666697
cyclohexylsulfanylmethanamine
CID 18729999
tert-butylsulfanylcycloundecane
CID 123259854
4-(disulfanyl)pyrazolidine
CID 19376814

Frequently Asked Questions

What is the IUPAC name of disulfanylcyclododecane?
The IUPAC name of disulfanylcyclododecane (CID 87475322) is disulfanylcyclododecane.
What is the SMILES notation for disulfanylcyclododecane?
The canonical SMILES for disulfanylcyclododecane is SSC1CCCCCCCCCCC1.
What is the InChIKey of disulfanylcyclododecane?
The InChIKey is PKRRWQDTVKOCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S2/c13-14-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2.
What are the key properties of disulfanylcyclododecane?
disulfanylcyclododecane has a molecular weight of 232.46 g/mol, XLogP of 5.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disulfanylcyclododecane is sourced from PubChem (CID 87475322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).