3-[2-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol

C10H22O5S2 — CID 58462732

IUPAC3-[2-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol
SMILESOCC(O)CSCCOCCSCC(O)CO
InChIInChI=1S/C10H22O5S2/c11-5-9(13)7-16-3-1-15-2-4-17-8-10(14)6-12/h9-14H,1-8H2
InChIKeyGHQNWSQVEKWWSX-UHFFFAOYSA-N
MW286.42 g/mol
LogP-0.82
Rot. Bonds12

About 3-[2-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol

3-[2-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol (PubChem CID 58462732) has the molecular formula C10H22O5S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[2-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol
PubChem CID58462732
Molecular FormulaC10H22O5S2
Molecular Weight286.42 g/mol
Exact Mass286.09
IUPAC Name3-[2-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol
SMILESOCC(O)CSCCOCCSCC(O)CO
InChIInChI=1S/C10H22O5S2/c11-5-9(13)7-16-3-1-15-2-4-17-8-10(14)6-12/h9-14H,1-8H2
InChIKeyGHQNWSQVEKWWSX-UHFFFAOYSA-N
XLogP-0.82
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol?
The IUPAC name of 3-[2-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol (CID 58462732) is 3-[2-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[2-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[2-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol is OCC(O)CSCCOCCSCC(O)CO.
What is the InChIKey of 3-[2-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol?
The InChIKey is GHQNWSQVEKWWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5S2/c11-5-9(13)7-16-3-1-15-2-4-17-8-10(14)6-12/h9-14H,1-8H2.
What are the key properties of 3-[2-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol?
3-[2-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol has a molecular weight of 286.42 g/mol, XLogP of -0.82, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2,3-dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol is sourced from PubChem (CID 58462732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).