ethanethioic S-acid;ethenyl acetate

C6H10O3S — CID 159520643

IUPACethanethioic S-acid;ethenyl acetate
SMILESC=COC(C)=O.CC(=O)S
InChIInChI=1S/C4H6O2.C2H4OS/c1-3-6-4(2)5;1-2(3)4/h3H,1H2,2H3;1H3,(H,3,4)
InChIKeyMBTFWRBIDZSWLJ-UHFFFAOYSA-N
MW162.21 g/mol
LogP1.16
Rot. Bonds1

About ethanethioic S-acid;ethenyl acetate

ethanethioic S-acid;ethenyl acetate (PubChem CID 159520643) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is ethanethioic S-acid;ethenyl acetate.

Molecular Properties

Compound Nameethanethioic S-acid;ethenyl acetate
PubChem CID159520643
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Nameethanethioic S-acid;ethenyl acetate
SMILESC=COC(C)=O.CC(=O)S
InChIInChI=1S/C4H6O2.C2H4OS/c1-3-6-4(2)5;1-2(3)4/h3H,1H2,2H3;1H3,(H,3,4)
InChIKeyMBTFWRBIDZSWLJ-UHFFFAOYSA-N
XLogP1.16
TPSA43.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carbon monoxide;ethene;ethenyl acetate
CID 168517
Ethene;ethenyl acetate
CID 175988
Ethenol, 2-ethoxy-, acetate
CID 5365428
[(Z)-2-ethoxyethenyl] acetate
CID 11083912
2-Ethoxyvinyl acetate
CID 548203
Vinyl mercaptoacetate
CID 57163285
2-methoxy-Vinyl acetate
CID 57237042
Ethenyl acetate;methoxyethene
CID 18921270
Ethane;ethenyl acetate
CID 21533881
Ethenyl acetate;methane
CID 23075256
2-Ethenoxyethenyl acetate
CID 57033565
Ethene;ethenyl acetate;methane
CID 87937528

Frequently Asked Questions

What is the IUPAC name of ethanethioic S-acid;ethenyl acetate?
The IUPAC name of ethanethioic S-acid;ethenyl acetate (CID 159520643) is ethanethioic S-acid;ethenyl acetate.
What is the SMILES notation for ethanethioic S-acid;ethenyl acetate?
The canonical SMILES for ethanethioic S-acid;ethenyl acetate is C=COC(C)=O.CC(=O)S.
What is the InChIKey of ethanethioic S-acid;ethenyl acetate?
The InChIKey is MBTFWRBIDZSWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H4OS/c1-3-6-4(2)5;1-2(3)4/h3H,1H2,2H3;1H3,(H,3,4).
What are the key properties of ethanethioic S-acid;ethenyl acetate?
ethanethioic S-acid;ethenyl acetate has a molecular weight of 162.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethioic S-acid;ethenyl acetate is sourced from PubChem (CID 159520643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).