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

C14H30O7S2 — CID 20521804

IUPAC3-(2-hydroxyethylsulfanyl)-1-[2-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]ethoxy]ethoxy]propan-1-ol
SMILESOCCSCCC(O)OCCOCCOCC(O)CSCCO
InChIInChI=1S/C14H30O7S2/c15-2-9-22-8-1-14(18)21-7-6-19-4-5-20-11-13(17)12-23-10-3-16/h13-18H,1-12H2
InChIKeyOYGYVOOUGXVEJY-UHFFFAOYSA-N
MW374.52 g/mol
LogP-0.44
Rot. Bonds18

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

3-(2-hydroxyethylsulfanyl)-1-[2-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]ethoxy]ethoxy]propan-1-ol (PubChem CID 20521804) has the molecular formula C14H30O7S2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 3-(2-hydroxyethylsulfanyl)-1-[2-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]ethoxy]ethoxy]propan-1-ol.

Molecular Properties

Compound Name3-(2-hydroxyethylsulfanyl)-1-[2-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]ethoxy]ethoxy]propan-1-ol
PubChem CID20521804
Molecular FormulaC14H30O7S2
Molecular Weight374.52 g/mol
Exact Mass374.14
IUPAC Name3-(2-hydroxyethylsulfanyl)-1-[2-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]ethoxy]ethoxy]propan-1-ol
SMILESOCCSCCC(O)OCCOCCOCC(O)CSCCO
InChIInChI=1S/C14H30O7S2/c15-2-9-22-8-1-14(18)21-7-6-19-4-5-20-11-13(17)12-23-10-3-16/h13-18H,1-12H2
InChIKeyOYGYVOOUGXVEJY-UHFFFAOYSA-N
XLogP-0.44
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-((2-Hydroxyethyl)thio)-3-(3-((2-hydroxyethyl)thio)propoxy)propan-2-ol
CID 3019035
S-(3,3-diethoxy-2-hydroxypropyl) ethanethioate
CID 10933052
S-[(2R)-3,3-diethoxy-2-hydroxypropyl] ethanethioate
CID 135056029
1,4,7,14-Tetraoxa-11,17-dithiacycloicosane-9,19-diol
CID 138964811
[(2R,8R)-2-(hydroxymethyl)-1,7-dioxa-4,10-dithiaspiro[5.5]undecan-8-yl]methanol
CID 92020982
[(2R,8S)-2-(hydroxymethyl)-1,7-dioxa-4,10-dithiaspiro[5.5]undecan-8-yl]methanol
CID 92020991
1-[(2-Hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol
CID 18341900
1-[2-[2-[2-[2-[2-(2,3-Dihydroxypropylsulfanyl)ethylsulfanyl]ethylsulfanyl]-3-hydroxypropoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]propane-1,3-diol
CID 57568692
3-[2-[2-(2,3-Dihydroxypropylsulfanyl)ethoxy]ethylsulfanyl]propane-1,2-diol
CID 58462732
1,7,11-Trioxa-4,14-dithiacycloheptadec-2-ylmethanol
CID 59106273
3-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]propane-1,2-diol
CID 70880102
1,1-Diethoxy-3-(ethylsulfanyl)-2-propanol
CID 89106797

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylsulfanyl)-1-[2-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]ethoxy]ethoxy]propan-1-ol?
The IUPAC name of 3-(2-hydroxyethylsulfanyl)-1-[2-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]ethoxy]ethoxy]propan-1-ol (CID 20521804) is 3-(2-hydroxyethylsulfanyl)-1-[2-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]ethoxy]ethoxy]propan-1-ol.
What is the SMILES notation for 3-(2-hydroxyethylsulfanyl)-1-[2-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]ethoxy]ethoxy]propan-1-ol?
The canonical SMILES for 3-(2-hydroxyethylsulfanyl)-1-[2-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]ethoxy]ethoxy]propan-1-ol is OCCSCCC(O)OCCOCCOCC(O)CSCCO.
What is the InChIKey of 3-(2-hydroxyethylsulfanyl)-1-[2-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]ethoxy]ethoxy]propan-1-ol?
The InChIKey is OYGYVOOUGXVEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O7S2/c15-2-9-22-8-1-14(18)21-7-6-19-4-5-20-11-13(17)12-23-10-3-16/h13-18H,1-12H2.
What are the key properties of 3-(2-hydroxyethylsulfanyl)-1-[2-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]ethoxy]ethoxy]propan-1-ol?
3-(2-hydroxyethylsulfanyl)-1-[2-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]ethoxy]ethoxy]propan-1-ol has a molecular weight of 374.52 g/mol, XLogP of -0.44, 18 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylsulfanyl)-1-[2-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]ethoxy]ethoxy]propan-1-ol is sourced from PubChem (CID 20521804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).