1-phenyl-3-trimethylsilylazetidine-2-thione

C12H17NSSi — CID 15246515

IUPAC1-phenyl-3-trimethylsilylazetidine-2-thione
SMILESC[Si](C)(C)C1CN(c2ccccc2)C1=S
InChIInChI=1S/C12H17NSSi/c1-15(2,3)11-9-13(12(11)14)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyIIZUMWIZCPGILR-UHFFFAOYSA-N
MW235.43 g/mol
LogP3.54
Rot. Bonds2

About 1-phenyl-3-trimethylsilylazetidine-2-thione

1-phenyl-3-trimethylsilylazetidine-2-thione (PubChem CID 15246515) has the molecular formula C12H17NSSi and a molecular weight of 235.43 g/mol. Its IUPAC name is 1-phenyl-3-trimethylsilylazetidine-2-thione.

Molecular Properties

Compound Name1-phenyl-3-trimethylsilylazetidine-2-thione
PubChem CID15246515
Molecular FormulaC12H17NSSi
Molecular Weight235.43 g/mol
Exact Mass235.09
IUPAC Name1-phenyl-3-trimethylsilylazetidine-2-thione
SMILESC[Si](C)(C)C1CN(c2ccccc2)C1=S
InChIInChI=1S/C12H17NSSi/c1-15(2,3)11-9-13(12(11)14)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyIIZUMWIZCPGILR-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-trimethylsilylazetidine-2-thione?
The IUPAC name of 1-phenyl-3-trimethylsilylazetidine-2-thione (CID 15246515) is 1-phenyl-3-trimethylsilylazetidine-2-thione.
What is the SMILES notation for 1-phenyl-3-trimethylsilylazetidine-2-thione?
The canonical SMILES for 1-phenyl-3-trimethylsilylazetidine-2-thione is C[Si](C)(C)C1CN(c2ccccc2)C1=S.
What is the InChIKey of 1-phenyl-3-trimethylsilylazetidine-2-thione?
The InChIKey is IIZUMWIZCPGILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NSSi/c1-15(2,3)11-9-13(12(11)14)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3.
What are the key properties of 1-phenyl-3-trimethylsilylazetidine-2-thione?
1-phenyl-3-trimethylsilylazetidine-2-thione has a molecular weight of 235.43 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-trimethylsilylazetidine-2-thione is sourced from PubChem (CID 15246515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).