5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide

C9H10AlCl4N2PS — CID 134912325

IUPAC5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
SMILESCCc1n[n+](-c2ccccc2)ps1.Cl[Al-](Cl)(Cl)Cl
InChIInChI=1S/C9H10N2PS.Al.4ClH/c1-2-9-10-11(12-13-9)8-6-4-3-5-7-8;;;;;/h3-7H,2H2,1H3;;4*1H/q+1;+3;;;;/p-4
InChIKeyPNHVOUSNSAXRCO-UHFFFAOYSA-J
MW378.03 g/mol
LogP4.94
Rot. Bonds2

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

5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide (PubChem CID 134912325) has the molecular formula C9H10AlCl4N2PS and a molecular weight of 378.03 g/mol. Its IUPAC name is 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide.

Molecular Properties

Compound Name5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
PubChem CID134912325
Molecular FormulaC9H10AlCl4N2PS
Molecular Weight378.03 g/mol
Exact Mass375.89
IUPAC Name5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
SMILESCCc1n[n+](-c2ccccc2)ps1.Cl[Al-](Cl)(Cl)Cl
InChIInChI=1S/C9H10N2PS.Al.4ClH/c1-2-9-10-11(12-13-9)8-6-4-3-5-7-8;;;;;/h3-7H,2H2,1H3;;4*1H/q+1;+3;;;;/p-4
InChIKeyPNHVOUSNSAXRCO-UHFFFAOYSA-J
XLogP4.94
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.03
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole
CID 15761698
4-(Dichlorophosphino)-5-methyl-2-phenyl-2h-1,2,3-diaza phosphol
CID 129744627
5-Methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134891298
5-Benzyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134912482
3,5-Diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134912483
4,5-Dimethyl-2-phenyldiazaphosphole
CID 13839378
5-Ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium
CID 100943731

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide?
The IUPAC name of 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide (CID 134912325) is 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide.
What is the SMILES notation for 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide?
The canonical SMILES for 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide is CCc1n[n+](-c2ccccc2)ps1.Cl[Al-](Cl)(Cl)Cl.
What is the InChIKey of 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide?
The InChIKey is PNHVOUSNSAXRCO-UHFFFAOYSA-J. The full InChI is InChI=1S/C9H10N2PS.Al.4ClH/c1-2-9-10-11(12-13-9)8-6-4-3-5-7-8;;;;;/h3-7H,2H2,1H3;;4*1H/q+1;+3;;;;/p-4.
What are the key properties of 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide?
5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide has a molecular weight of 378.03 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide is sourced from PubChem (CID 134912325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).