1-methoxyethoxymethanedithioic acid

C4H8O2S2 — CID 175134859

IUPAC1-methoxyethoxymethanedithioic acid
SMILESCOC(C)OC(=S)S
InChIInChI=1S/C4H8O2S2/c1-3(5-2)6-4(7)8/h3H,1-2H3,(H,7,8)
InChIKeyDSWQVHKYMFBJHO-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.21
Rot. Bonds2

About 1-methoxyethoxymethanedithioic acid

1-methoxyethoxymethanedithioic acid (PubChem CID 175134859) has the molecular formula C4H8O2S2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methoxyethoxymethanedithioic acid.

Molecular Properties

Compound Name1-methoxyethoxymethanedithioic acid
PubChem CID175134859
Molecular FormulaC4H8O2S2
Molecular Weight152.24 g/mol
Exact Mass152.00
IUPAC Name1-methoxyethoxymethanedithioic acid
SMILESCOC(C)OC(=S)S
InChIInChI=1S/C4H8O2S2/c1-3(5-2)6-4(7)8/h3H,1-2H3,(H,7,8)
InChIKeyDSWQVHKYMFBJHO-UHFFFAOYSA-N
XLogP1.21
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-ethoxyethoxymethanedithioic acid
CID 86745249
sodium;azane;hydride;propan-2-yloxymethanedithioic acid
CID 174488756
1-(1-methoxyethoxy)ethenylsilane
CID 175158252
1,1-dimethoxyethane chloride
CID 22648542
1,1-dimethoxyethane;hafnium
CID 159457910
lithium;1,1-dimethoxyethane;hydride
CID 174450087
zinc;1,1-dimethoxyethane;dichloride
CID 173213885
1-methoxyethyl 2-hydroxy-2-methylpropanoate
CID 175601186
1,1-dimethoxyethane;formic acid
CID 174931321
carbamodithioic acid;propan-2-ol
CID 71434937
1-[dithiocarboxy(2-hydroxypropyl)amino]propan-2-yloxymethanedithioic acid
CID 167049479
cobalt;2-methylpropoxymethanedithioic acid
CID 175412800

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethoxymethanedithioic acid?
The IUPAC name of 1-methoxyethoxymethanedithioic acid (CID 175134859) is 1-methoxyethoxymethanedithioic acid.
What is the SMILES notation for 1-methoxyethoxymethanedithioic acid?
The canonical SMILES for 1-methoxyethoxymethanedithioic acid is COC(C)OC(=S)S.
What is the InChIKey of 1-methoxyethoxymethanedithioic acid?
The InChIKey is DSWQVHKYMFBJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S2/c1-3(5-2)6-4(7)8/h3H,1-2H3,(H,7,8).
What are the key properties of 1-methoxyethoxymethanedithioic acid?
1-methoxyethoxymethanedithioic acid has a molecular weight of 152.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethoxymethanedithioic acid is sourced from PubChem (CID 175134859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).