1,11-bis(sulfanyl)undecane-3,6,9-triol

C11H24O3S2 — CID 141481744

IUPAC1,11-bis(sulfanyl)undecane-3,6,9-triol
SMILESOC(CCS)CCC(O)CCC(O)CCS
InChIInChI=1S/C11H24O3S2/c12-9(1-3-10(13)5-7-15)2-4-11(14)6-8-16/h9-16H,1-8H2
InChIKeyFGHWVUPBMLIRIU-UHFFFAOYSA-N
MW268.44 g/mol
LogP1.27
Rot. Bonds10

About 1,11-bis(sulfanyl)undecane-3,6,9-triol

1,11-bis(sulfanyl)undecane-3,6,9-triol (PubChem CID 141481744) has the molecular formula C11H24O3S2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1,11-bis(sulfanyl)undecane-3,6,9-triol.

Molecular Properties

Compound Name1,11-bis(sulfanyl)undecane-3,6,9-triol
PubChem CID141481744
Molecular FormulaC11H24O3S2
Molecular Weight268.44 g/mol
Exact Mass268.12
IUPAC Name1,11-bis(sulfanyl)undecane-3,6,9-triol
SMILESOC(CCS)CCC(O)CCC(O)CCS
InChIInChI=1S/C11H24O3S2/c12-9(1-3-10(13)5-7-15)2-4-11(14)6-8-16/h9-16H,1-8H2
InChIKeyFGHWVUPBMLIRIU-UHFFFAOYSA-N
XLogP1.27
TPSA60.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 51.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-4-sulfanylbutyl)sulfanyl-4-sulfanylbutan-2-ol
CID 151586497
(6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol
CID 142701093
1,4-bis(sulfanyl)butane-1,2-diol
CID 22316279
tetradecane-3,6,9,12-tetrol
CID 57081340
pentadecane-2,5,8,11,14-pentol
CID 175190041
undecane-3,6,9-triol
CID 57025994
2-hydroxy-4-sulfanylbutanoic acid;methane
CID 20975562
2,5-bis(sulfanyl)pentane-1,3-diol
CID 57002171
pentane-1,3,5-trithiol
CID 19807040
hexane-1,3,4,6-tetrathiol
CID 57180046
hexane-1,1,4,6-tetrol
CID 56633159
2,2,8,8-tetramethylnonan-5-ol
CID 19931306

Frequently Asked Questions

What is the IUPAC name of 1,11-bis(sulfanyl)undecane-3,6,9-triol?
The IUPAC name of 1,11-bis(sulfanyl)undecane-3,6,9-triol (CID 141481744) is 1,11-bis(sulfanyl)undecane-3,6,9-triol.
What is the SMILES notation for 1,11-bis(sulfanyl)undecane-3,6,9-triol?
The canonical SMILES for 1,11-bis(sulfanyl)undecane-3,6,9-triol is OC(CCS)CCC(O)CCC(O)CCS.
What is the InChIKey of 1,11-bis(sulfanyl)undecane-3,6,9-triol?
The InChIKey is FGHWVUPBMLIRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3S2/c12-9(1-3-10(13)5-7-15)2-4-11(14)6-8-16/h9-16H,1-8H2.
What are the key properties of 1,11-bis(sulfanyl)undecane-3,6,9-triol?
1,11-bis(sulfanyl)undecane-3,6,9-triol has a molecular weight of 268.44 g/mol, XLogP of 1.27, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-bis(sulfanyl)undecane-3,6,9-triol is sourced from PubChem (CID 141481744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).