5,5-bis(propylsulfanyl)pentan-1-ol

C11H24OS2 — CID 134929674

IUPAC5,5-bis(propylsulfanyl)pentan-1-ol
SMILESCCCSC(CCCCO)SCCC
InChIInChI=1S/C11H24OS2/c1-3-9-13-11(14-10-4-2)7-5-6-8-12/h11-12H,3-10H2,1-2H3
InChIKeyODLLKOPLEQQBTE-UHFFFAOYSA-N
MW236.45 g/mol
LogP3.76
Rot. Bonds10

About 5,5-bis(propylsulfanyl)pentan-1-ol

5,5-bis(propylsulfanyl)pentan-1-ol (PubChem CID 134929674) has the molecular formula C11H24OS2 and a molecular weight of 236.45 g/mol. Its IUPAC name is 5,5-bis(propylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name5,5-bis(propylsulfanyl)pentan-1-ol
PubChem CID134929674
Molecular FormulaC11H24OS2
Molecular Weight236.45 g/mol
Exact Mass236.13
IUPAC Name5,5-bis(propylsulfanyl)pentan-1-ol
SMILESCCCSC(CCCCO)SCCC
InChIInChI=1S/C11H24OS2/c1-3-9-13-11(14-10-4-2)7-5-6-8-12/h11-12H,3-10H2,1-2H3
InChIKeyODLLKOPLEQQBTE-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,5-bis(propylsulfanyl)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(propylsulfanyl)pentan-1-ol?
The IUPAC name of 5,5-bis(propylsulfanyl)pentan-1-ol (CID 134929674) is 5,5-bis(propylsulfanyl)pentan-1-ol.
What is the SMILES notation for 5,5-bis(propylsulfanyl)pentan-1-ol?
The canonical SMILES for 5,5-bis(propylsulfanyl)pentan-1-ol is CCCSC(CCCCO)SCCC.
What is the InChIKey of 5,5-bis(propylsulfanyl)pentan-1-ol?
The InChIKey is ODLLKOPLEQQBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OS2/c1-3-9-13-11(14-10-4-2)7-5-6-8-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 5,5-bis(propylsulfanyl)pentan-1-ol?
5,5-bis(propylsulfanyl)pentan-1-ol has a molecular weight of 236.45 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(propylsulfanyl)pentan-1-ol is sourced from PubChem (CID 134929674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).