O-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate

C6H10O3S2 — CID 139975522

IUPACO-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate
SMILESCOC(=S)COCC(=S)OC
InChIInChI=1S/C6H10O3S2/c1-7-5(10)3-9-4-6(11)8-2/h3-4H2,1-2H3
InChIKeyLFWKBLZKGFBSCU-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.95
Rot. Bonds4

About O-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate

O-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate (PubChem CID 139975522) has the molecular formula C6H10O3S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is O-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate.

Molecular Properties

Compound NameO-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate
PubChem CID139975522
Molecular FormulaC6H10O3S2
Molecular Weight194.28 g/mol
Exact Mass194.01
IUPAC NameO-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate
SMILESCOC(=S)COCC(=S)OC
InChIInChI=1S/C6H10O3S2/c1-7-5(10)3-9-4-6(11)8-2/h3-4H2,1-2H3
InChIKeyLFWKBLZKGFBSCU-UHFFFAOYSA-N
XLogP0.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate?
The IUPAC name of O-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate (CID 139975522) is O-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate.
What is the SMILES notation for O-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate?
The canonical SMILES for O-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate is COC(=S)COCC(=S)OC.
What is the InChIKey of O-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate?
The InChIKey is LFWKBLZKGFBSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S2/c1-7-5(10)3-9-4-6(11)8-2/h3-4H2,1-2H3.
What are the key properties of O-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate?
O-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate has a molecular weight of 194.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate is sourced from PubChem (CID 139975522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).