(1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium

C5H11Br2NO2PdS — CID 50910688

IUPAC(1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium
SMILESBr[Pd]Br.C[SH+]CCC([NH-])C(=O)O
InChIInChI=1S/C5H10NO2S.2BrH.Pd/c1-9-3-2-4(6)5(7)8;;;/h4,6H,2-3H2,1H3,(H,7,8);2*1H;/q-1;;;+2/p-1
InChIKeyPTXZSVWCBPESOZ-UHFFFAOYSA-M
MW415.44 g/mol
LogP2.02
Rot. Bonds4

About (1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium

(1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium (PubChem CID 50910688) has the molecular formula C5H11Br2NO2PdS and a molecular weight of 415.44 g/mol. Its IUPAC name is (1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium.

Molecular Properties

Compound Name(1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium
PubChem CID50910688
Molecular FormulaC5H11Br2NO2PdS
Molecular Weight415.44 g/mol
Exact Mass412.79
IUPAC Name(1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium
SMILESBr[Pd]Br.C[SH+]CCC([NH-])C(=O)O
InChIInChI=1S/C5H10NO2S.2BrH.Pd/c1-9-3-2-4(6)5(7)8;;;/h4,6H,2-3H2,1H3,(H,7,8);2*1H;/q-1;;;+2/p-1
InChIKeyPTXZSVWCBPESOZ-UHFFFAOYSA-M
XLogP2.02
TPSA61.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium?
The IUPAC name of (1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium (CID 50910688) is (1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium.
What is the SMILES notation for (1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium?
The canonical SMILES for (1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium is Br[Pd]Br.C[SH+]CCC([NH-])C(=O)O.
What is the InChIKey of (1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium?
The InChIKey is PTXZSVWCBPESOZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10NO2S.2BrH.Pd/c1-9-3-2-4(6)5(7)8;;;/h4,6H,2-3H2,1H3,(H,7,8);2*1H;/q-1;;;+2/p-1.
What are the key properties of (1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium?
(1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium has a molecular weight of 415.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxy-3-methylsulfoniopropyl)azanide;dibromopalladium is sourced from PubChem (CID 50910688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).