ethanethioic S-acid;2-hydroxyethanethioic S-acid

C4H8O3S2 — CID 88655579

IUPACethanethioic S-acid;2-hydroxyethanethioic S-acid
SMILESCC(=O)S.O=C(S)CO
InChIInChI=1S/C2H4O2S.C2H4OS/c3-1-2(4)5;1-2(3)4/h3H,1H2,(H,4,5);1H3,(H,3,4)
InChIKeyICQHURIYNWWVQI-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.10
Rot. Bonds1

About ethanethioic S-acid;2-hydroxyethanethioic S-acid

ethanethioic S-acid;2-hydroxyethanethioic S-acid (PubChem CID 88655579) has the molecular formula C4H8O3S2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethanethioic S-acid;2-hydroxyethanethioic S-acid.

Molecular Properties

Compound Nameethanethioic S-acid;2-hydroxyethanethioic S-acid
PubChem CID88655579
Molecular FormulaC4H8O3S2
Molecular Weight168.24 g/mol
Exact Mass167.99
IUPAC Nameethanethioic S-acid;2-hydroxyethanethioic S-acid
SMILESCC(=O)S.O=C(S)CO
InChIInChI=1S/C2H4O2S.C2H4OS/c3-1-2(4)5;1-2(3)4/h3H,1H2,(H,4,5);1H3,(H,3,4)
InChIKeyICQHURIYNWWVQI-UHFFFAOYSA-N
XLogP-0.10
TPSA54.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanethioic S-acid;2-hydroxyethanethioic S-acid?
The IUPAC name of ethanethioic S-acid;2-hydroxyethanethioic S-acid (CID 88655579) is ethanethioic S-acid;2-hydroxyethanethioic S-acid.
What is the SMILES notation for ethanethioic S-acid;2-hydroxyethanethioic S-acid?
The canonical SMILES for ethanethioic S-acid;2-hydroxyethanethioic S-acid is CC(=O)S.O=C(S)CO.
What is the InChIKey of ethanethioic S-acid;2-hydroxyethanethioic S-acid?
The InChIKey is ICQHURIYNWWVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2S.C2H4OS/c3-1-2(4)5;1-2(3)4/h3H,1H2,(H,4,5);1H3,(H,3,4).
What are the key properties of ethanethioic S-acid;2-hydroxyethanethioic S-acid?
ethanethioic S-acid;2-hydroxyethanethioic S-acid has a molecular weight of 168.24 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethioic S-acid;2-hydroxyethanethioic S-acid is sourced from PubChem (CID 88655579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).