5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione

C15H26O7S2 — CID 132542143

IUPAC5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione
SMILESS=C1OC(COCCOCCOCCOCCOCC2CO2)CS1
InChIInChI=1S/C15H26O7S2/c23-15-22-14(12-24-15)10-20-8-6-18-4-2-16-1-3-17-5-7-19-9-13-11-21-13/h13-14H,1-12H2
InChIKeyMPZDTHNIXPZTBY-UHFFFAOYSA-N
MW382.50 g/mol
LogP0.89
Rot. Bonds16

About 5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione

5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione (PubChem CID 132542143) has the molecular formula C15H26O7S2 and a molecular weight of 382.50 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione.

Molecular Properties

Compound Name5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione
PubChem CID132542143
Molecular FormulaC15H26O7S2
Molecular Weight382.50 g/mol
Exact Mass382.11
IUPAC Name5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione
SMILESS=C1OC(COCCOCCOCCOCCOCC2CO2)CS1
InChIInChI=1S/C15H26O7S2/c23-15-22-14(12-24-15)10-20-8-6-18-4-2-16-1-3-17-5-7-19-9-13-11-21-13/h13-14H,1-12H2
InChIKeyMPZDTHNIXPZTBY-UHFFFAOYSA-N
XLogP0.89
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione
CID 132542141
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
5-(3-methylbut-2-enoxymethyl)-1,3-oxathiolane-2-thione
CID 101181867
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
4-[3-[2-hydroxy-3-[3-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]propoxy]propoxy]propoxymethyl]-1,3-oxathiolane-2-thione
CID 18723822
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[2-[2-(cyclopropylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 89079137
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154070356
2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol
CID 156674386
CID 57064791
CID 57064791

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione?
The IUPAC name of 5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione (CID 132542143) is 5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione.
What is the SMILES notation for 5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione?
The canonical SMILES for 5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione is S=C1OC(COCCOCCOCCOCCOCC2CO2)CS1.
What is the InChIKey of 5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione?
The InChIKey is MPZDTHNIXPZTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O7S2/c23-15-22-14(12-24-15)10-20-8-6-18-4-2-16-1-3-17-5-7-19-9-13-11-21-13/h13-14H,1-12H2.
What are the key properties of 5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione?
5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione has a molecular weight of 382.50 g/mol, XLogP of 0.89, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,3-oxathiolane-2-thione is sourced from PubChem (CID 132542143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).