carbanide;sulfinatosulfamoylmethane;yttrium

C2H7NO4S2Y-2 — CID 59965034

IUPACcarbanide;sulfinatosulfamoylmethane;yttrium
SMILESCS(=O)(=O)NS(=O)[O-].[CH3-].[Y]
InChIInChI=1S/CH5NO4S2.CH3.Y/c1-8(5,6)2-7(3)4;;/h2H,1H3,(H,3,4);1H3;/q;-1;/p-1
InChIKeyAKSJJXQHURICCM-UHFFFAOYSA-M
MW262.12 g/mol
LogP-1.22
Rot. Bonds2

About carbanide;sulfinatosulfamoylmethane;yttrium

carbanide;sulfinatosulfamoylmethane;yttrium (PubChem CID 59965034) has the molecular formula C2H7NO4S2Y-2 and a molecular weight of 262.12 g/mol. Its IUPAC name is carbanide;sulfinatosulfamoylmethane;yttrium.

Molecular Properties

Compound Namecarbanide;sulfinatosulfamoylmethane;yttrium
PubChem CID59965034
Molecular FormulaC2H7NO4S2Y-2
Molecular Weight262.12 g/mol
Exact Mass261.89
IUPAC Namecarbanide;sulfinatosulfamoylmethane;yttrium
SMILESCS(=O)(=O)NS(=O)[O-].[CH3-].[Y]
InChIInChI=1S/CH5NO4S2.CH3.Y/c1-8(5,6)2-7(3)4;;/h2H,1H3,(H,3,4);1H3;/q;-1;/p-1
InChIKeyAKSJJXQHURICCM-UHFFFAOYSA-M
XLogP-1.22
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;sulfinatosulfamoylmethane;yttrium?
The IUPAC name of carbanide;sulfinatosulfamoylmethane;yttrium (CID 59965034) is carbanide;sulfinatosulfamoylmethane;yttrium.
What is the SMILES notation for carbanide;sulfinatosulfamoylmethane;yttrium?
The canonical SMILES for carbanide;sulfinatosulfamoylmethane;yttrium is CS(=O)(=O)NS(=O)[O-].[CH3-].[Y].
What is the InChIKey of carbanide;sulfinatosulfamoylmethane;yttrium?
The InChIKey is AKSJJXQHURICCM-UHFFFAOYSA-M. The full InChI is InChI=1S/CH5NO4S2.CH3.Y/c1-8(5,6)2-7(3)4;;/h2H,1H3,(H,3,4);1H3;/q;-1;/p-1.
What are the key properties of carbanide;sulfinatosulfamoylmethane;yttrium?
carbanide;sulfinatosulfamoylmethane;yttrium has a molecular weight of 262.12 g/mol, XLogP of -1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;sulfinatosulfamoylmethane;yttrium is sourced from PubChem (CID 59965034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).