5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione

C10H14O4S4 — CID 139659971

IUPAC5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione
SMILESS=C1OC(COCCOCC2CSC(=S)O2)CS1
InChIInChI=1S/C10H14O4S4/c15-9-13-7(5-17-9)3-11-1-2-12-4-8-6-18-10(16)14-8/h7-8H,1-6H2
InChIKeyXCHJQRONVGEYIY-UHFFFAOYSA-N
MW326.49 g/mol
LogP1.85
Rot. Bonds7

About 5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione

5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione (PubChem CID 139659971) has the molecular formula C10H14O4S4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione.

Molecular Properties

Compound Name5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione
PubChem CID139659971
Molecular FormulaC10H14O4S4
Molecular Weight326.49 g/mol
Exact Mass325.98
IUPAC Name5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione
SMILESS=C1OC(COCCOCC2CSC(=S)O2)CS1
InChIInChI=1S/C10H14O4S4/c15-9-13-7(5-17-9)3-11-1-2-12-4-8-6-18-10(16)14-8/h7-8H,1-6H2
InChIKeyXCHJQRONVGEYIY-UHFFFAOYSA-N
XLogP1.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione?
The IUPAC name of 5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione (CID 139659971) is 5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione.
What is the SMILES notation for 5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione?
The canonical SMILES for 5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione is S=C1OC(COCCOCC2CSC(=S)O2)CS1.
What is the InChIKey of 5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione?
The InChIKey is XCHJQRONVGEYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S4/c15-9-13-7(5-17-9)3-11-1-2-12-4-8-6-18-10(16)14-8/h7-8H,1-6H2.
What are the key properties of 5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione?
5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione has a molecular weight of 326.49 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolane-2-thione is sourced from PubChem (CID 139659971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).