sulfinosulfamoylmethane

CH5NO4S2 — CID 22285783

IUPACsulfinosulfamoylmethane
SMILESCS(=O)(=O)NS(=O)O
InChIInChI=1S/CH5NO4S2/c1-8(5,6)2-7(3)4/h2H,1H3,(H,3,4)
InChIKeyTZGFBTOAVCXCEG-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.33
Rot. Bonds2

About sulfinosulfamoylmethane

sulfinosulfamoylmethane (PubChem CID 22285783) has the molecular formula CH5NO4S2 and a molecular weight of 159.19 g/mol. Its IUPAC name is sulfinosulfamoylmethane.

Molecular Properties

Compound Namesulfinosulfamoylmethane
PubChem CID22285783
Molecular FormulaCH5NO4S2
Molecular Weight159.19 g/mol
Exact Mass158.97
IUPAC Namesulfinosulfamoylmethane
SMILESCS(=O)(=O)NS(=O)O
InChIInChI=1S/CH5NO4S2/c1-8(5,6)2-7(3)4/h2H,1H3,(H,3,4)
InChIKeyTZGFBTOAVCXCEG-UHFFFAOYSA-N
XLogP-1.33
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoro-1-(sulfinosulfamoyl)ethane
CID 89328833
carbanide;sulfinatosulfamoylmethane;yttrium
CID 59965034
CID 174002978
CID 174002978
1-methyl-4-(sulfinosulfamoyl)benzene
CID 57311517
methanesulfonic acid;hydrate
CID 87278985
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;stibane
CID 173129060
CID 87129852
CID 87129852
ethane;methanesulfonic acid
CID 87194848
methane;methanesulfonic acid
CID 87535456
CID 72786756
CID 72786756
methanesulfonic acid;hydrate;hydrochloride
CID 140967673

Frequently Asked Questions

What is the IUPAC name of sulfinosulfamoylmethane?
The IUPAC name of sulfinosulfamoylmethane (CID 22285783) is sulfinosulfamoylmethane.
What is the SMILES notation for sulfinosulfamoylmethane?
The canonical SMILES for sulfinosulfamoylmethane is CS(=O)(=O)NS(=O)O.
What is the InChIKey of sulfinosulfamoylmethane?
The InChIKey is TZGFBTOAVCXCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5NO4S2/c1-8(5,6)2-7(3)4/h2H,1H3,(H,3,4).
What are the key properties of sulfinosulfamoylmethane?
sulfinosulfamoylmethane has a molecular weight of 159.19 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfinosulfamoylmethane is sourced from PubChem (CID 22285783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).