iodomethanesulfinic acid

CH3IO2S — CID 23503835

IUPACiodomethanesulfinic acid
SMILESO=S(O)CI
InChIInChI=1S/CH3IO2S/c2-1-5(3)4/h1H2,(H,3,4)
InChIKeyJQLKMTZZCCWBQF-UHFFFAOYSA-N
MW206.00 g/mol
LogP0.60
Rot. Bonds1

About iodomethanesulfinic acid

iodomethanesulfinic acid (PubChem CID 23503835) has the molecular formula CH3IO2S and a molecular weight of 206.00 g/mol. Its IUPAC name is iodomethanesulfinic acid.

Molecular Properties

Compound Nameiodomethanesulfinic acid
PubChem CID23503835
Molecular FormulaCH3IO2S
Molecular Weight206.00 g/mol
Exact Mass205.89
IUPAC Nameiodomethanesulfinic acid
SMILESO=S(O)CI
InChIInChI=1S/CH3IO2S/c2-1-5(3)4/h1H2,(H,3,4)
InChIKeyJQLKMTZZCCWBQF-UHFFFAOYSA-N
XLogP0.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.00
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

ethane-1,2-disulfinic acid
CID 15180980
sodium ethanesulfinic acid
CID 19960758
CID 88840644
CID 88840644
sodium;hydride;hydroxymethanesulfinic acid;dihydrate
CID 173024972
phosphane;sulfurous acid
CID 173229936
CID 162004424
CID 162004424
CID 139595971
CID 139595971
hydron;sulfurous acid
CID 173020149
iron;sulfurous acid
CID 175438968
arsane;sulfurous acid
CID 173343664
CID 86742114
CID 86742114
(1-amino-2-iodoethyl) hydrogen sulfite
CID 88657301

Frequently Asked Questions

What is the IUPAC name of iodomethanesulfinic acid?
The IUPAC name of iodomethanesulfinic acid (CID 23503835) is iodomethanesulfinic acid.
What is the SMILES notation for iodomethanesulfinic acid?
The canonical SMILES for iodomethanesulfinic acid is O=S(O)CI.
What is the InChIKey of iodomethanesulfinic acid?
The InChIKey is JQLKMTZZCCWBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3IO2S/c2-1-5(3)4/h1H2,(H,3,4).
What are the key properties of iodomethanesulfinic acid?
iodomethanesulfinic acid has a molecular weight of 206.00 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethanesulfinic acid is sourced from PubChem (CID 23503835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).