ethanethioic S-acid;methane;methanol;S-methyl ethanethioate

C7H18O3S2 — CID 159638519

IUPACethanethioic S-acid;methane;methanol;S-methyl ethanethioate
SMILESC.CC(=O)S.CO.CSC(C)=O
InChIInChI=1S/C3H6OS.C2H4OS.CH4O.CH4/c1-3(4)5-2;1-2(3)4;1-2;/h1-2H3;1H3,(H,3,4);2H,1H3;1H4
InChIKeyMQAVXKCVMLGSPB-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.60
Rot. Bonds

About ethanethioic S-acid;methane;methanol;S-methyl ethanethioate

ethanethioic S-acid;methane;methanol;S-methyl ethanethioate (PubChem CID 159638519) has the molecular formula C7H18O3S2 and a molecular weight of 214.35 g/mol. Its IUPAC name is ethanethioic S-acid;methane;methanol;S-methyl ethanethioate.

Molecular Properties

Compound Nameethanethioic S-acid;methane;methanol;S-methyl ethanethioate
PubChem CID159638519
Molecular FormulaC7H18O3S2
Molecular Weight214.35 g/mol
Exact Mass214.07
IUPAC Nameethanethioic S-acid;methane;methanol;S-methyl ethanethioate
SMILESC.CC(=O)S.CO.CSC(C)=O
InChIInChI=1S/C3H6OS.C2H4OS.CH4O.CH4/c1-3(4)5-2;1-2(3)4;1-2;/h1-2H3;1H3,(H,3,4);2H,1H3;1H4
InChIKeyMQAVXKCVMLGSPB-UHFFFAOYSA-N
XLogP1.60
TPSA54.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanethioic S-acid;methane;methanol;S-methyl ethanethioate?
The IUPAC name of ethanethioic S-acid;methane;methanol;S-methyl ethanethioate (CID 159638519) is ethanethioic S-acid;methane;methanol;S-methyl ethanethioate.
What is the SMILES notation for ethanethioic S-acid;methane;methanol;S-methyl ethanethioate?
The canonical SMILES for ethanethioic S-acid;methane;methanol;S-methyl ethanethioate is C.CC(=O)S.CO.CSC(C)=O.
What is the InChIKey of ethanethioic S-acid;methane;methanol;S-methyl ethanethioate?
The InChIKey is MQAVXKCVMLGSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OS.C2H4OS.CH4O.CH4/c1-3(4)5-2;1-2(3)4;1-2;/h1-2H3;1H3,(H,3,4);2H,1H3;1H4.
What are the key properties of ethanethioic S-acid;methane;methanol;S-methyl ethanethioate?
ethanethioic S-acid;methane;methanol;S-methyl ethanethioate has a molecular weight of 214.35 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethioic S-acid;methane;methanol;S-methyl ethanethioate is sourced from PubChem (CID 159638519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).