cyclododecanethiol

C12H24S — CID 12627259

IUPACcyclododecanethiol
SMILESSC1CCCCCCCCCCC1
InChIInChI=1S/C12H24S/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2
InChIKeyXDQHLVSMADKFRH-UHFFFAOYSA-N
MW200.39 g/mol
LogP4.59
Rot. Bonds

About cyclododecanethiol

cyclododecanethiol (PubChem CID 12627259) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is cyclododecanethiol.

Molecular Properties

Compound Namecyclododecanethiol
PubChem CID12627259
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Namecyclododecanethiol
SMILESSC1CCCCCCCCCCC1
InChIInChI=1S/C12H24S/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2
InChIKeyXDQHLVSMADKFRH-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclododecanethiol?
The IUPAC name of cyclododecanethiol (CID 12627259) is cyclododecanethiol.
What is the SMILES notation for cyclododecanethiol?
The canonical SMILES for cyclododecanethiol is SC1CCCCCCCCCCC1.
What is the InChIKey of cyclododecanethiol?
The InChIKey is XDQHLVSMADKFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2.
What are the key properties of cyclododecanethiol?
cyclododecanethiol has a molecular weight of 200.39 g/mol, XLogP of 4.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecanethiol is sourced from PubChem (CID 12627259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).