undecane-1,4,8,11-tetrathiol

C11H24S4 — CID 57041789

IUPACundecane-1,4,8,11-tetrathiol
SMILESSCCCC(S)CCCC(S)CCCS
InChIInChI=1S/C11H24S4/c12-8-2-6-10(14)4-1-5-11(15)7-3-9-13/h10-15H,1-9H2
InChIKeyJEQBIHHRICQTST-UHFFFAOYSA-N
MW284.58 g/mol
LogP4.17
Rot. Bonds10

About undecane-1,4,8,11-tetrathiol

undecane-1,4,8,11-tetrathiol (PubChem CID 57041789) has the molecular formula C11H24S4 and a molecular weight of 284.58 g/mol. Its IUPAC name is undecane-1,4,8,11-tetrathiol.

Molecular Properties

Compound Nameundecane-1,4,8,11-tetrathiol
PubChem CID57041789
Molecular FormulaC11H24S4
Molecular Weight284.58 g/mol
Exact Mass284.08
IUPAC Nameundecane-1,4,8,11-tetrathiol
SMILESSCCCC(S)CCCC(S)CCCS
InChIInChI=1S/C11H24S4/c12-8-2-6-10(14)4-1-5-11(15)7-3-9-13/h10-15H,1-9H2
InChIKeyJEQBIHHRICQTST-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.58
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentane-1,2,5-trithiol
CID 87093666
2,5-bis(sulfanyl)pentan-1-ol
CID 90911589
butane-1,1,4-trithiol
CID 90930217
4,7-bis(sulfanyl)heptanoic acid
CID 87537007
pentane-1,3,5-trithiol
CID 19807040
tetratriacontane-1,17-dithiol
CID 57207387
7-aminoheptane-1,3-dithiol
CID 167040747
8-[2,8-bis(sulfanyl)octoxy]octane-1,7-dithiol
CID 21488227
5,10-bis(sulfanyl)decanoic acid
CID 87537400
5,9-bis(sulfanylmethyl)tridecane-1,4,7,10,13-pentathiol
CID 175084958
CID 147862679
CID 147862679
7,9-bis(sulfanylmethyl)pentadecane-1,5,8,11,15-pentathiol
CID 175417967

Frequently Asked Questions

What is the IUPAC name of undecane-1,4,8,11-tetrathiol?
The IUPAC name of undecane-1,4,8,11-tetrathiol (CID 57041789) is undecane-1,4,8,11-tetrathiol.
What is the SMILES notation for undecane-1,4,8,11-tetrathiol?
The canonical SMILES for undecane-1,4,8,11-tetrathiol is SCCCC(S)CCCC(S)CCCS.
What is the InChIKey of undecane-1,4,8,11-tetrathiol?
The InChIKey is JEQBIHHRICQTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24S4/c12-8-2-6-10(14)4-1-5-11(15)7-3-9-13/h10-15H,1-9H2.
What are the key properties of undecane-1,4,8,11-tetrathiol?
undecane-1,4,8,11-tetrathiol has a molecular weight of 284.58 g/mol, XLogP of 4.17, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for undecane-1,4,8,11-tetrathiol is sourced from PubChem (CID 57041789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).