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

C11H17N3PS2Si+ — CID 138962520

IUPACtrimethyl-[(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
InChIInChI=1S/C11H17N3PS2Si/c1-16-11-12-14(10-8-6-5-7-9-10)15(17-11)13-18(2,3)4/h5-9H,1-4H3/q+1
InChIKeyJVLYZRUFEGIFOB-UHFFFAOYSA-N
MW314.47 g/mol
LogP5.07
Rot. Bonds3

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

trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane (PubChem CID 138962520) has the molecular formula C11H17N3PS2Si+ and a molecular weight of 314.47 g/mol. Its IUPAC name is trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane.

Molecular Properties

Compound Nametrimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane
PubChem CID138962520
Molecular FormulaC11H17N3PS2Si+
Molecular Weight314.47 g/mol
Exact Mass314.04
IUPAC Nametrimethyl-[(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
InChIInChI=1S/C11H17N3PS2Si/c1-16-11-12-14(10-8-6-5-7-9-10)15(17-11)13-18(2,3)4/h5-9H,1-4H3/q+1
InChIKeyJVLYZRUFEGIFOB-UHFFFAOYSA-N
XLogP5.07
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 55.07
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
tetrachloroalumanuide;trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane
CID 138962519
5-Ethylsulfanyl-3-phenylthiatriazol-3-ium
CID 21609358
3-Phenyl-5-propan-2-ylsulfanylthiatriazol-3-ium
CID 21625937
5-Methylsulfanyl-3-phenylthiatriazol-3-ium
CID 21625938
5-Methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium
CID 134891299

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane?
The IUPAC name of trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane (CID 138962520) is trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane.
What is the SMILES notation for trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane?
The canonical SMILES for 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.
What is the InChIKey of trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane?
The InChIKey is JVLYZRUFEGIFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3PS2Si/c1-16-11-12-14(10-8-6-5-7-9-10)15(17-11)13-18(2,3)4/h5-9H,1-4H3/q+1.
What are the key properties of trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane?
trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane has a molecular weight of 314.47 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-(5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-ium-2-ylidene)amino]silane is sourced from PubChem (CID 138962520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).