3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide

C13H10AlCl4N2PS — CID 134912483

IUPAC3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
SMILESCl[Al-](Cl)(Cl)Cl.c1ccc(-c2n[n+](-c3ccccc3)ps2)cc1
InChIInChI=1S/C13H10N2PS.Al.4ClH/c1-3-7-11(8-4-1)13-14-15(16-17-13)12-9-5-2-6-10-12;;;;;/h1-10H;;4*1H/q+1;+3;;;;/p-4
InChIKeyMSRNMZRRLAHDRJ-UHFFFAOYSA-J
MW426.07 g/mol
LogP6.04
Rot. Bonds2

About 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide

3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide (PubChem CID 134912483) has the molecular formula C13H10AlCl4N2PS and a molecular weight of 426.07 g/mol. Its IUPAC name is 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide.

Molecular Properties

Compound Name3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
PubChem CID134912483
Molecular FormulaC13H10AlCl4N2PS
Molecular Weight426.07 g/mol
Exact Mass423.89
IUPAC Name3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
SMILESCl[Al-](Cl)(Cl)Cl.c1ccc(-c2n[n+](-c3ccccc3)ps2)cc1
InChIInChI=1S/C13H10N2PS.Al.4ClH/c1-3-7-11(8-4-1)13-14-15(16-17-13)12-9-5-2-6-10-12;;;;;/h1-10H;;4*1H/q+1;+3;;;;/p-4
InChIKeyMSRNMZRRLAHDRJ-UHFFFAOYSA-J
XLogP6.04
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.07
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide with MolForge

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

Launch Full Analysis

Related Compounds

3-(3,5-Difluorophenyl)-5-phenyldithiadiazole 2-oxide
CID 142771211
3-(4-Fluorophenyl)-5-phenyldithiadiazole 2-oxide
CID 142771212
3,5-Diphenyldithiadiazole 2-oxide
CID 142771214
3,5-Diphenyltriazaphosphole
CID 14000517
2-Chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole
CID 15761693
5-Ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134912325
5-Benzyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134912482
5-(4-Bromophenyl)-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134912514
5-Naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134912648
3-(2-Methylphenyl)-5-phenyldithiadiazole 2-oxide
CID 142771213
2,5-Diphenyl-2H-1,2,3-diazaphosphole
CID 71366113
5-Benzyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium
CID 100943718

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide?
The IUPAC name of 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide (CID 134912483) is 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide.
What is the SMILES notation for 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide?
The canonical SMILES for 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide is Cl[Al-](Cl)(Cl)Cl.c1ccc(-c2n[n+](-c3ccccc3)ps2)cc1.
What is the InChIKey of 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide?
The InChIKey is MSRNMZRRLAHDRJ-UHFFFAOYSA-J. The full InChI is InChI=1S/C13H10N2PS.Al.4ClH/c1-3-7-11(8-4-1)13-14-15(16-17-13)12-9-5-2-6-10-12;;;;;/h1-10H;;4*1H/q+1;+3;;;;/p-4.
What are the key properties of 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide?
3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide has a molecular weight of 426.07 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide is sourced from PubChem (CID 134912483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).