[(disulfinatoamino)-sulfinatoamino]methane

CH3N2O6S3-3 — CID 23174154

IUPAC[(disulfinatoamino)-sulfinatoamino]methane
SMILESCN(N(S(=O)[O-])S(=O)[O-])S(=O)[O-]
InChIInChI=1S/CH6N2O6S3/c1-2(10(4)5)3(11(6)7)12(8)9/h1H3,(H,4,5)(H,6,7)(H,8,9)/p-3
InChIKeyUKEMAACSSNTMIZ-UHFFFAOYSA-K
MW235.24 g/mol
LogP-2.48
Rot. Bonds4

About [(disulfinatoamino)-sulfinatoamino]methane

[(disulfinatoamino)-sulfinatoamino]methane (PubChem CID 23174154) has the molecular formula CH3N2O6S3-3 and a molecular weight of 235.24 g/mol. Its IUPAC name is [(disulfinatoamino)-sulfinatoamino]methane.

Molecular Properties

Compound Name[(disulfinatoamino)-sulfinatoamino]methane
PubChem CID23174154
Molecular FormulaCH3N2O6S3-3
Molecular Weight235.24 g/mol
Exact Mass234.92
IUPAC Name[(disulfinatoamino)-sulfinatoamino]methane
SMILESCN(N(S(=O)[O-])S(=O)[O-])S(=O)[O-]
InChIInChI=1S/CH6N2O6S3/c1-2(10(4)5)3(11(6)7)12(8)9/h1H3,(H,4,5)(H,6,7)(H,8,9)/p-3
InChIKeyUKEMAACSSNTMIZ-UHFFFAOYSA-K
XLogP-2.48
TPSA126.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-2.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(disulfinatoamino)-sulfinatoamino]methane?
The IUPAC name of [(disulfinatoamino)-sulfinatoamino]methane (CID 23174154) is [(disulfinatoamino)-sulfinatoamino]methane.
What is the SMILES notation for [(disulfinatoamino)-sulfinatoamino]methane?
The canonical SMILES for [(disulfinatoamino)-sulfinatoamino]methane is CN(N(S(=O)[O-])S(=O)[O-])S(=O)[O-].
What is the InChIKey of [(disulfinatoamino)-sulfinatoamino]methane?
The InChIKey is UKEMAACSSNTMIZ-UHFFFAOYSA-K. The full InChI is InChI=1S/CH6N2O6S3/c1-2(10(4)5)3(11(6)7)12(8)9/h1H3,(H,4,5)(H,6,7)(H,8,9)/p-3.
What are the key properties of [(disulfinatoamino)-sulfinatoamino]methane?
[(disulfinatoamino)-sulfinatoamino]methane has a molecular weight of 235.24 g/mol, XLogP of -2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(disulfinatoamino)-sulfinatoamino]methane is sourced from PubChem (CID 23174154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).