ethenyl acetate;sulfurothioic O-acid

C4H8O5S2 — CID 174959909

IUPACethenyl acetate;sulfurothioic O-acid
SMILESC=COC(C)=O.O=S(O)(O)=S
InChIInChI=1S/C4H6O2.H2O3S2/c1-3-6-4(2)5;1-5(2,3)4/h3H,1H2,2H3;(H2,1,2,3,4)
InChIKeyMSWAYFKZRSTOAQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.37
Rot. Bonds1

About ethenyl acetate;sulfurothioic O-acid

ethenyl acetate;sulfurothioic O-acid (PubChem CID 174959909) has the molecular formula C4H8O5S2 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethenyl acetate;sulfurothioic O-acid.

Molecular Properties

Compound Nameethenyl acetate;sulfurothioic O-acid
PubChem CID174959909
Molecular FormulaC4H8O5S2
Molecular Weight200.24 g/mol
Exact Mass199.98
IUPAC Nameethenyl acetate;sulfurothioic O-acid
SMILESC=COC(C)=O.O=S(O)(O)=S
InChIInChI=1S/C4H6O2.H2O3S2/c1-3-6-4(2)5;1-5(2,3)4/h3H,1H2,2H3;(H2,1,2,3,4)
InChIKeyMSWAYFKZRSTOAQ-UHFFFAOYSA-N
XLogP0.37
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 22321303
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CID 86614662
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Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;sulfurothioic O-acid?
The IUPAC name of ethenyl acetate;sulfurothioic O-acid (CID 174959909) is ethenyl acetate;sulfurothioic O-acid.
What is the SMILES notation for ethenyl acetate;sulfurothioic O-acid?
The canonical SMILES for ethenyl acetate;sulfurothioic O-acid is C=COC(C)=O.O=S(O)(O)=S.
What is the InChIKey of ethenyl acetate;sulfurothioic O-acid?
The InChIKey is MSWAYFKZRSTOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.H2O3S2/c1-3-6-4(2)5;1-5(2,3)4/h3H,1H2,2H3;(H2,1,2,3,4).
What are the key properties of ethenyl acetate;sulfurothioic O-acid?
ethenyl acetate;sulfurothioic O-acid has a molecular weight of 200.24 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;sulfurothioic O-acid is sourced from PubChem (CID 174959909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).