tetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane

C11H17AlCl4N3PS2Si — CID 138962519

IUPACtetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane
SMILESCSc1nn(-c2ccccc2)/[p+](=N/[Si](C)(C)C)s1.Cl[Al-](Cl)(Cl)Cl
InChIInChI=1S/C11H17N3PS2Si.Al.4ClH/c1-16-11-12-14(10-8-6-5-7-9-10)15(17-11)13-18(2,3)4;;;;;/h5-9H,1-4H3;;4*1H/q+1;+3;;;;/p-4
InChIKeyVNVXSXBZHOMZES-UHFFFAOYSA-J
MW483.27 g/mol
LogP7.45
Rot. Bonds3

About tetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane

tetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane (PubChem CID 138962519) has the molecular formula C11H17AlCl4N3PS2Si and a molecular weight of 483.27 g/mol. Its IUPAC name is tetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane.

Molecular Properties

Compound Nametetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane
PubChem CID138962519
Molecular FormulaC11H17AlCl4N3PS2Si
Molecular Weight483.27 g/mol
Exact Mass480.89
IUPAC Nametetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane
SMILESCSc1nn(-c2ccccc2)/[p+](=N/[Si](C)(C)C)s1.Cl[Al-](Cl)(Cl)Cl
InChIInChI=1S/C11H17N3PS2Si.Al.4ClH/c1-16-11-12-14(10-8-6-5-7-9-10)15(17-11)13-18(2,3)4;;;;;/h5-9H,1-4H3;;4*1H/q+1;+3;;;;/p-4
InChIKeyVNVXSXBZHOMZES-UHFFFAOYSA-J
XLogP7.45
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.27
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134891298
7,8-Dimethyl-2-methylsulfanyl-4-phenyl-6,9-dioxa-1-thia-3-aza-4-azonia-5lambda5-phosphaspiro[4.4]nona-2,4,7-triene;tetrachloroalumanuide
CID 134912321
N-[bis(diethylamino)phosphanyl]-N-ethylethanamine;5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134912324
5-Methylsulfanyl-3-phenylthiatriazol-3-ium
CID 21625938
5-Methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium
CID 134891299
trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane
CID 138962520

Frequently Asked Questions

What is the IUPAC name of tetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane?
The IUPAC name of tetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane (CID 138962519) is tetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane.
What is the SMILES notation for tetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane?
The canonical SMILES for tetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane is CSc1nn(-c2ccccc2)/[p+](=N/[Si](C)(C)C)s1.Cl[Al-](Cl)(Cl)Cl.
What is the InChIKey of tetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane?
The InChIKey is VNVXSXBZHOMZES-UHFFFAOYSA-J. The full InChI is InChI=1S/C11H17N3PS2Si.Al.4ClH/c1-16-11-12-14(10-8-6-5-7-9-10)15(17-11)13-18(2,3)4;;;;;/h5-9H,1-4H3;;4*1H/q+1;+3;;;;/p-4.
What are the key properties of tetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane?
tetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane has a molecular weight of 483.27 g/mol, XLogP of 7.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane is sourced from PubChem (CID 138962519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).