ethenyl 2,2-bis(sulfanyl)acetate

C4H6O2S2 — CID 142746261

IUPACethenyl 2,2-bis(sulfanyl)acetate
SMILESC=COC(=O)C(S)S
InChIInChI=1S/C4H6O2S2/c1-2-6-3(5)4(7)8/h2,4,7-8H,1H2
InChIKeyAWXYCBHMPYGAOT-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.86
Rot. Bonds2

About ethenyl 2,2-bis(sulfanyl)acetate

ethenyl 2,2-bis(sulfanyl)acetate (PubChem CID 142746261) has the molecular formula C4H6O2S2 and a molecular weight of 150.22 g/mol. Its IUPAC name is ethenyl 2,2-bis(sulfanyl)acetate.

Molecular Properties

Compound Nameethenyl 2,2-bis(sulfanyl)acetate
PubChem CID142746261
Molecular FormulaC4H6O2S2
Molecular Weight150.22 g/mol
Exact Mass149.98
IUPAC Nameethenyl 2,2-bis(sulfanyl)acetate
SMILESC=COC(=O)C(S)S
InChIInChI=1S/C4H6O2S2/c1-2-6-3(5)4(7)8/h2,4,7-8H,1H2
InChIKeyAWXYCBHMPYGAOT-UHFFFAOYSA-N
XLogP0.86
TPSA26.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Vinyl mercaptoacetate
CID 57163285
Sodium 2-ethenoxy-2-oxoethanethiolate
CID 87721289
[(E)-2-sulfanylethenyl] acetate
CID 88605522
Ethenyl 3-sulfanylpropanoate
CID 139945468
2-Sulfanylethenyl acetate
CID 151093628
Sodium;ethenyl 2-sulfanylacetate;hydride
CID 173144862

Frequently Asked Questions

What is the IUPAC name of ethenyl 2,2-bis(sulfanyl)acetate?
The IUPAC name of ethenyl 2,2-bis(sulfanyl)acetate (CID 142746261) is ethenyl 2,2-bis(sulfanyl)acetate.
What is the SMILES notation for ethenyl 2,2-bis(sulfanyl)acetate?
The canonical SMILES for ethenyl 2,2-bis(sulfanyl)acetate is C=COC(=O)C(S)S.
What is the InChIKey of ethenyl 2,2-bis(sulfanyl)acetate?
The InChIKey is AWXYCBHMPYGAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2S2/c1-2-6-3(5)4(7)8/h2,4,7-8H,1H2.
What are the key properties of ethenyl 2,2-bis(sulfanyl)acetate?
ethenyl 2,2-bis(sulfanyl)acetate has a molecular weight of 150.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2,2-bis(sulfanyl)acetate is sourced from PubChem (CID 142746261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).