formic acid;thiohypochlorous acid

CH3ClO2S — CID 87822777

IUPACformic acid;thiohypochlorous acid
SMILESO=CO.SCl
InChIInChI=1S/CH2O2.ClHS/c2-1-3;1-2/h1H,(H,2,3);2H
InChIKeyCMBMZEHDOBIKLR-UHFFFAOYSA-N
MW114.55 g/mol
LogP0.77
Rot. Bonds

About formic acid;thiohypochlorous acid

formic acid;thiohypochlorous acid (PubChem CID 87822777) has the molecular formula CH3ClO2S and a molecular weight of 114.55 g/mol. Its IUPAC name is formic acid;thiohypochlorous acid.

Molecular Properties

Compound Nameformic acid;thiohypochlorous acid
PubChem CID87822777
Molecular FormulaCH3ClO2S
Molecular Weight114.55 g/mol
Exact Mass113.95
IUPAC Nameformic acid;thiohypochlorous acid
SMILESO=CO.SCl
InChIInChI=1S/CH2O2.ClHS/c2-1-3;1-2/h1H,(H,2,3);2H
InChIKeyCMBMZEHDOBIKLR-UHFFFAOYSA-N
XLogP0.77
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.55
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;thiohypochlorous acid?
The IUPAC name of formic acid;thiohypochlorous acid (CID 87822777) is formic acid;thiohypochlorous acid.
What is the SMILES notation for formic acid;thiohypochlorous acid?
The canonical SMILES for formic acid;thiohypochlorous acid is O=CO.SCl.
What is the InChIKey of formic acid;thiohypochlorous acid?
The InChIKey is CMBMZEHDOBIKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.ClHS/c2-1-3;1-2/h1H,(H,2,3);2H.
What are the key properties of formic acid;thiohypochlorous acid?
formic acid;thiohypochlorous acid has a molecular weight of 114.55 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;thiohypochlorous acid is sourced from PubChem (CID 87822777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).