3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol

C8H18O2S2 — CID 548322

IUPAC3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol
SMILESOCCCSCCSCCCO
InChIInChI=1S/C8H18O2S2/c9-3-1-5-11-7-8-12-6-2-4-10/h9-10H,1-8H2
InChIKeyGBZDOXLAUOJYPB-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.22
Rot. Bonds9

About 3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol

3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol (PubChem CID 548322) has the molecular formula C8H18O2S2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol
PubChem CID548322
Molecular FormulaC8H18O2S2
Molecular Weight210.36 g/mol
Exact Mass210.07
IUPAC Name3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol
SMILESOCCCSCCSCCCO
InChIInChI=1S/C8H18O2S2/c9-3-1-5-11-7-8-12-6-2-4-10/h9-10H,1-8H2
InChIKeyGBZDOXLAUOJYPB-UHFFFAOYSA-N
XLogP1.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.22
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-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol (CID 548322) is 3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol is OCCCSCCSCCCO.
What is the InChIKey of 3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol?
The InChIKey is GBZDOXLAUOJYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S2/c9-3-1-5-11-7-8-12-6-2-4-10/h9-10H,1-8H2.
What are the key properties of 3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol?
3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol has a molecular weight of 210.36 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 548322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).