N-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate

C19H28NPSSi2 — CID 23418598

IUPACN-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate
SMILESC[Si](C)(C)[P+](/C([S-])=N/c1ccccc1)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H28NPSSi2/c1-23(2,3)21(24(4,5)6,18-15-11-8-12-16-18)19(22)20-17-13-9-7-10-14-17/h7-16H,1-6H3
InChIKeyMXCNZGYIIFGELV-UHFFFAOYSA-N
MW389.65 g/mol
LogP6.23
Rot. Bonds5

About N-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate

N-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate (PubChem CID 23418598) has the molecular formula C19H28NPSSi2 and a molecular weight of 389.65 g/mol. Its IUPAC name is N-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate.

Molecular Properties

Compound NameN-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate
PubChem CID23418598
Molecular FormulaC19H28NPSSi2
Molecular Weight389.65 g/mol
Exact Mass389.12
IUPAC NameN-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate
SMILESC[Si](C)(C)[P+](/C([S-])=N/c1ccccc1)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H28NPSSi2/c1-23(2,3)21(24(4,5)6,18-15-11-8-12-16-18)19(22)20-17-13-9-7-10-14-17/h7-16H,1-6H3
InChIKeyMXCNZGYIIFGELV-UHFFFAOYSA-N
XLogP6.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.65
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate?
The IUPAC name of N-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate (CID 23418598) is N-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate.
What is the SMILES notation for N-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate?
The canonical SMILES for N-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate is C[Si](C)(C)[P+](/C([S-])=N/c1ccccc1)(c1ccccc1)[Si](C)(C)C.
What is the InChIKey of N-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate?
The InChIKey is MXCNZGYIIFGELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28NPSSi2/c1-23(2,3)21(24(4,5)6,18-15-11-8-12-16-18)19(22)20-17-13-9-7-10-14-17/h7-16H,1-6H3.
What are the key properties of N-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate?
N-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate has a molecular weight of 389.65 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate is sourced from PubChem (CID 23418598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).