cyclododecyl-tris(sulfanyl)-λ4-sulfane

C12H26S4 — CID 87473577

IUPACcyclododecyl-tris(sulfanyl)-λ4-sulfane
SMILESSS(S)(S)C1CCCCCCCCCCC1
InChIInChI=1S/C12H26S4/c13-16(14,15)12-10-8-6-4-2-1-3-5-7-9-11-12/h12-15H,1-11H2
InChIKeyYQENXCCLSRQRBU-UHFFFAOYSA-N
MW298.61 g/mol
LogP6.00
Rot. Bonds1

About cyclododecyl-tris(sulfanyl)-λ4-sulfane

cyclododecyl-tris(sulfanyl)-λ4-sulfane (PubChem CID 87473577) has the molecular formula C12H26S4 and a molecular weight of 298.61 g/mol. Its IUPAC name is cyclododecyl-tris(sulfanyl)-λ4-sulfane.

Molecular Properties

Compound Namecyclododecyl-tris(sulfanyl)-λ4-sulfane
PubChem CID87473577
Molecular FormulaC12H26S4
Molecular Weight298.61 g/mol
Exact Mass298.09
IUPAC Namecyclododecyl-tris(sulfanyl)-λ4-sulfane
SMILESSS(S)(S)C1CCCCCCCCCCC1
InChIInChI=1S/C12H26S4/c13-16(14,15)12-10-8-6-4-2-1-3-5-7-9-11-12/h12-15H,1-11H2
InChIKeyYQENXCCLSRQRBU-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.61
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexylsulfonylmethanethiol
CID 117036891
cyclooctanesulfonyl iodide
CID 22935862
cycloheptanesulfonyl bromide
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cyclohexylsulfonylformic acid
CID 117036747
cyclohexanesulfonic acid;sulfane;dihydrochloride
CID 174267441
cis-(1R,2S)-cycloheptane-1,2-dithiol
CID 102083621
cyclopentanesulfonic acid
CID 15707015
diazoniosulfonylcyclohexane
CID 154139567
N-(cyclohexylsulfonylmethyl)ethanamine
CID 117036374
cyclohexyl-methyl-methylimino-oxo-λ6-sulfane
CID 132969713
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589

Frequently Asked Questions

What is the IUPAC name of cyclododecyl-tris(sulfanyl)-λ4-sulfane?
The IUPAC name of cyclododecyl-tris(sulfanyl)-λ4-sulfane (CID 87473577) is cyclododecyl-tris(sulfanyl)-λ4-sulfane.
What is the SMILES notation for cyclododecyl-tris(sulfanyl)-λ4-sulfane?
The canonical SMILES for cyclododecyl-tris(sulfanyl)-λ4-sulfane is SS(S)(S)C1CCCCCCCCCCC1.
What is the InChIKey of cyclododecyl-tris(sulfanyl)-λ4-sulfane?
The InChIKey is YQENXCCLSRQRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26S4/c13-16(14,15)12-10-8-6-4-2-1-3-5-7-9-11-12/h12-15H,1-11H2.
What are the key properties of cyclododecyl-tris(sulfanyl)-λ4-sulfane?
cyclododecyl-tris(sulfanyl)-λ4-sulfane has a molecular weight of 298.61 g/mol, XLogP of 6.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecyl-tris(sulfanyl)-λ4-sulfane is sourced from PubChem (CID 87473577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).