phenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate

C12H19NSSi — CID 121001687

IUPACphenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate
SMILESC/C(=N\C[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C12H19NSSi/c1-11(13-10-15(2,3)4)14-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3/b13-11+
InChIKeyNQUZGGGSBONPRO-ACCUITESSA-N
MW237.44 g/mol
LogP4.07
Rot. Bonds3

About phenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate

phenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate (PubChem CID 121001687) has the molecular formula C12H19NSSi and a molecular weight of 237.44 g/mol. Its IUPAC name is phenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate.

Molecular Properties

Compound Namephenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate
PubChem CID121001687
Molecular FormulaC12H19NSSi
Molecular Weight237.44 g/mol
Exact Mass237.10
IUPAC Namephenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate
SMILESC/C(=N\C[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C12H19NSSi/c1-11(13-10-15(2,3)4)14-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3/b13-11+
InChIKeyNQUZGGGSBONPRO-ACCUITESSA-N
XLogP4.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.44
LogP ≤ 54.07
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'}

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Frequently Asked Questions

What is the IUPAC name of phenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate?
The IUPAC name of phenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate (CID 121001687) is phenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate.
What is the SMILES notation for phenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate?
The canonical SMILES for phenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate is C/C(=N\C[Si](C)(C)C)Sc1ccccc1.
What is the InChIKey of phenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate?
The InChIKey is NQUZGGGSBONPRO-ACCUITESSA-N. The full InChI is InChI=1S/C12H19NSSi/c1-11(13-10-15(2,3)4)14-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3/b13-11+.
What are the key properties of phenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate?
phenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate has a molecular weight of 237.44 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (1E)-N-(trimethylsilylmethyl)ethanimidothioate is sourced from PubChem (CID 121001687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).