1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol

C10H22O4S2 — CID 3019035

IUPAC1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol
SMILESOCCSCCCOCC(O)CSCCO
InChIInChI=1S/C10H22O4S2/c11-2-6-15-5-1-4-14-8-10(13)9-16-7-3-12/h10-13H,1-9H2
InChIKeySZWVOMMXOJCQNB-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.20
Rot. Bonds12

About 1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol

1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol (PubChem CID 3019035) has the molecular formula C10H22O4S2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol
PubChem CID3019035
Molecular FormulaC10H22O4S2
Molecular Weight270.42 g/mol
Exact Mass270.10
IUPAC Name1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol
SMILESOCCSCCCOCC(O)CSCCO
InChIInChI=1S/C10H22O4S2/c11-2-6-15-5-1-4-14-8-10(13)9-16-7-3-12/h10-13H,1-9H2
InChIKeySZWVOMMXOJCQNB-UHFFFAOYSA-N
XLogP0.20
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol?
The IUPAC name of 1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol (CID 3019035) is 1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol.
What is the SMILES notation for 1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol?
The canonical SMILES for 1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol is OCCSCCCOCC(O)CSCCO.
What is the InChIKey of 1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol?
The InChIKey is SZWVOMMXOJCQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S2/c11-2-6-15-5-1-4-14-8-10(13)9-16-7-3-12/h10-13H,1-9H2.
What are the key properties of 1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol?
1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol has a molecular weight of 270.42 g/mol, XLogP of 0.20, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylsulfanyl)-3-[3-(2-hydroxyethylsulfanyl)propoxy]propan-2-ol is sourced from PubChem (CID 3019035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).