platinum(2+);bis(triethylphosphanium);diisothiocyanate

C14H32N2P2PtS2+2 — CID 6396592

IUPACplatinum(2+);bis(triethylphosphanium);diisothiocyanate
SMILESCC[PH+](CC)CC.CC[PH+](CC)CC.[N-]=C=S.[N-]=C=S.[Pt+2]
InChIInChI=1S/2C6H15P.2CNS.Pt/c2*1-4-7(5-2)6-3;2*2-1-3;/h2*4-6H2,1-3H3;;;/q;;2*-1;+2/p+2
InChIKeyAFARABNZWDMEFR-UHFFFAOYSA-P
MW549.58 g/mol
LogP5.84
Rot. Bonds6

About platinum(2+);bis(triethylphosphanium);diisothiocyanate

platinum(2+);bis(triethylphosphanium);diisothiocyanate (PubChem CID 6396592) has the molecular formula C14H32N2P2PtS2+2 and a molecular weight of 549.58 g/mol. Its IUPAC name is platinum(2+);bis(triethylphosphanium);diisothiocyanate.

Molecular Properties

Compound Nameplatinum(2+);bis(triethylphosphanium);diisothiocyanate
PubChem CID6396592
Molecular FormulaC14H32N2P2PtS2+2
Molecular Weight549.58 g/mol
Exact Mass549.11
IUPAC Nameplatinum(2+);bis(triethylphosphanium);diisothiocyanate
SMILESCC[PH+](CC)CC.CC[PH+](CC)CC.[N-]=C=S.[N-]=C=S.[Pt+2]
InChIInChI=1S/2C6H15P.2CNS.Pt/c2*1-4-7(5-2)6-3;2*2-1-3;/h2*4-6H2,1-3H3;;;/q;;2*-1;+2/p+2
InChIKeyAFARABNZWDMEFR-UHFFFAOYSA-P
XLogP5.84
TPSA44.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.58
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze platinum(2+);bis(triethylphosphanium);diisothiocyanate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of platinum(2+);bis(triethylphosphanium);diisothiocyanate?
The IUPAC name of platinum(2+);bis(triethylphosphanium);diisothiocyanate (CID 6396592) is platinum(2+);bis(triethylphosphanium);diisothiocyanate.
What is the SMILES notation for platinum(2+);bis(triethylphosphanium);diisothiocyanate?
The canonical SMILES for platinum(2+);bis(triethylphosphanium);diisothiocyanate is CC[PH+](CC)CC.CC[PH+](CC)CC.[N-]=C=S.[N-]=C=S.[Pt+2].
What is the InChIKey of platinum(2+);bis(triethylphosphanium);diisothiocyanate?
The InChIKey is AFARABNZWDMEFR-UHFFFAOYSA-P. The full InChI is InChI=1S/2C6H15P.2CNS.Pt/c2*1-4-7(5-2)6-3;2*2-1-3;/h2*4-6H2,1-3H3;;;/q;;2*-1;+2/p+2.
What are the key properties of platinum(2+);bis(triethylphosphanium);diisothiocyanate?
platinum(2+);bis(triethylphosphanium);diisothiocyanate has a molecular weight of 549.58 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);bis(triethylphosphanium);diisothiocyanate is sourced from PubChem (CID 6396592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).