ethanethioylsulfanyl 2-ethanethioylsulfanylacetate

C6H8O2S4 — CID 175129120

IUPACethanethioylsulfanyl 2-ethanethioylsulfanylacetate
SMILESCC(=S)SCC(=O)OSC(C)=S
InChIInChI=1S/C6H8O2S4/c1-4(9)11-3-6(7)8-12-5(2)10/h3H2,1-2H3
InChIKeyZNKUCZDEDXKQHE-UHFFFAOYSA-N
MW240.40 g/mol
LogP2.61
Rot. Bonds2

About ethanethioylsulfanyl 2-ethanethioylsulfanylacetate

ethanethioylsulfanyl 2-ethanethioylsulfanylacetate (PubChem CID 175129120) has the molecular formula C6H8O2S4 and a molecular weight of 240.40 g/mol. Its IUPAC name is ethanethioylsulfanyl 2-ethanethioylsulfanylacetate.

Molecular Properties

Compound Nameethanethioylsulfanyl 2-ethanethioylsulfanylacetate
PubChem CID175129120
Molecular FormulaC6H8O2S4
Molecular Weight240.40 g/mol
Exact Mass239.94
IUPAC Nameethanethioylsulfanyl 2-ethanethioylsulfanylacetate
SMILESCC(=S)SCC(=O)OSC(C)=S
InChIInChI=1S/C6H8O2S4/c1-4(9)11-3-6(7)8-12-5(2)10/h3H2,1-2H3
InChIKeyZNKUCZDEDXKQHE-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-oxopropyl ethanedithioate
CID 89230036
bis(acetylsulfanyl) butanedioate
CID 87618413
(2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten
CID 158594528
3-ethanethioylsulfanylpropyl ethanedithioate;formaldehyde;methane
CID 157267642
ethenyl 2-acetylsulfanylacetate
CID 139751778
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
CID 158105337
CID 158105337
ethyl 2-[2-(4-chlorophenyl)ethanethioyl]sulfanylacetate
CID 14294107
CID 158128480
CID 158128480
tert-butyl 2-(azepane-1-carbothioylsulfanyl)acetate
CID 71677639
ethyl 2-[2-(4-methoxyphenyl)ethanethioyl]sulfanylacetate
CID 14294104
amino acetate;butane
CID 90344227

Frequently Asked Questions

What is the IUPAC name of ethanethioylsulfanyl 2-ethanethioylsulfanylacetate?
The IUPAC name of ethanethioylsulfanyl 2-ethanethioylsulfanylacetate (CID 175129120) is ethanethioylsulfanyl 2-ethanethioylsulfanylacetate.
What is the SMILES notation for ethanethioylsulfanyl 2-ethanethioylsulfanylacetate?
The canonical SMILES for ethanethioylsulfanyl 2-ethanethioylsulfanylacetate is CC(=S)SCC(=O)OSC(C)=S.
What is the InChIKey of ethanethioylsulfanyl 2-ethanethioylsulfanylacetate?
The InChIKey is ZNKUCZDEDXKQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S4/c1-4(9)11-3-6(7)8-12-5(2)10/h3H2,1-2H3.
What are the key properties of ethanethioylsulfanyl 2-ethanethioylsulfanylacetate?
ethanethioylsulfanyl 2-ethanethioylsulfanylacetate has a molecular weight of 240.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethioylsulfanyl 2-ethanethioylsulfanylacetate is sourced from PubChem (CID 175129120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).