3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol

C11H24O2S2 — CID 19065809

IUPAC3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol
SMILESOCCCSCCCCCSCCCO
InChIInChI=1S/C11H24O2S2/c12-6-4-10-14-8-2-1-3-9-15-11-5-7-13/h12-13H,1-11H2
InChIKeyHHTWEFDDQAXMGO-UHFFFAOYSA-N
MW252.44 g/mol
LogP2.39
Rot. Bonds12

About 3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol

3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol (PubChem CID 19065809) has the molecular formula C11H24O2S2 and a molecular weight of 252.44 g/mol. Its IUPAC name is 3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol
PubChem CID19065809
Molecular FormulaC11H24O2S2
Molecular Weight252.44 g/mol
Exact Mass252.12
IUPAC Name3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol
SMILESOCCCSCCCCCSCCCO
InChIInChI=1S/C11H24O2S2/c12-6-4-10-14-8-2-1-3-9-15-11-5-7-13/h12-13H,1-11H2
InChIKeyHHTWEFDDQAXMGO-UHFFFAOYSA-N
XLogP2.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol?
The IUPAC name of 3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol (CID 19065809) is 3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol is OCCCSCCCCCSCCCO.
What is the InChIKey of 3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol?
The InChIKey is HHTWEFDDQAXMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S2/c12-6-4-10-14-8-2-1-3-9-15-11-5-7-13/h12-13H,1-11H2.
What are the key properties of 3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol?
3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol has a molecular weight of 252.44 g/mol, XLogP of 2.39, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-hydroxypropylsulfanyl)pentylsulfanyl]propan-1-ol is sourced from PubChem (CID 19065809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).