undecane-6,6-dithiol

C11H24S2 — CID 154290055

IUPACundecane-6,6-dithiol
SMILESCCCCCC(S)(S)CCCCC
InChIInChI=1S/C11H24S2/c1-3-5-7-9-11(12,13)10-8-6-4-2/h12-13H,3-10H2,1-2H3
InChIKeyWOQYGXUCECMMTA-UHFFFAOYSA-N
MW220.45 g/mol
LogP4.70
Rot. Bonds8

About undecane-6,6-dithiol

undecane-6,6-dithiol (PubChem CID 154290055) has the molecular formula C11H24S2 and a molecular weight of 220.45 g/mol. Its IUPAC name is undecane-6,6-dithiol.

Molecular Properties

Compound Nameundecane-6,6-dithiol
PubChem CID154290055
Molecular FormulaC11H24S2
Molecular Weight220.45 g/mol
Exact Mass220.13
IUPAC Nameundecane-6,6-dithiol
SMILESCCCCCC(S)(S)CCCCC
InChIInChI=1S/C11H24S2/c1-3-5-7-9-11(12,13)10-8-6-4-2/h12-13H,3-10H2,1-2H3
InChIKeyWOQYGXUCECMMTA-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.45
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

tetradecane-6,6-dithiol
CID 54417735
hexacosane-11,11-dithiol
CID 91479109
heptane-4,4-dithiol
CID 154237484
hexane;molybdenum
CID 162092649
6,6-dipentylundecane
CID 19690398
1-[1,1-bis(sulfanyl)octoxy]octane-1,1-dithiol
CID 88835498
3-methylnonane-3-thiol
CID 170848773
5-undecyltridecane-1,5,13-trithiol
CID 56992537
9-pentyltricosane-1,9,23-trithiol
CID 57145783
7-undecylpentadecane-1,7,15-trithiol
CID 57194068
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171

Frequently Asked Questions

What is the IUPAC name of undecane-6,6-dithiol?
The IUPAC name of undecane-6,6-dithiol (CID 154290055) is undecane-6,6-dithiol.
What is the SMILES notation for undecane-6,6-dithiol?
The canonical SMILES for undecane-6,6-dithiol is CCCCCC(S)(S)CCCCC.
What is the InChIKey of undecane-6,6-dithiol?
The InChIKey is WOQYGXUCECMMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24S2/c1-3-5-7-9-11(12,13)10-8-6-4-2/h12-13H,3-10H2,1-2H3.
What are the key properties of undecane-6,6-dithiol?
undecane-6,6-dithiol has a molecular weight of 220.45 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undecane-6,6-dithiol is sourced from PubChem (CID 154290055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).