S-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate

C12H19NOSSi — CID 23248773

IUPACS-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate
SMILESCN(C)C(=O)Sc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C12H19NOSSi/c1-13(2)12(14)15-10-6-8-11(9-7-10)16(3,4)5/h6-9H,1-5H3
InChIKeyROJXYCWKHQBUEI-UHFFFAOYSA-N
MW253.44 g/mol
LogP3.01
Rot. Bonds2

About S-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate

S-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate (PubChem CID 23248773) has the molecular formula C12H19NOSSi and a molecular weight of 253.44 g/mol. Its IUPAC name is S-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate.

Molecular Properties

Compound NameS-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate
PubChem CID23248773
Molecular FormulaC12H19NOSSi
Molecular Weight253.44 g/mol
Exact Mass253.10
IUPAC NameS-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate
SMILESCN(C)C(=O)Sc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C12H19NOSSi/c1-13(2)12(14)15-10-6-8-11(9-7-10)16(3,4)5/h6-9H,1-5H3
InChIKeyROJXYCWKHQBUEI-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate?
The IUPAC name of S-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate (CID 23248773) is S-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate.
What is the SMILES notation for S-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate?
The canonical SMILES for S-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate is CN(C)C(=O)Sc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of S-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate?
The InChIKey is ROJXYCWKHQBUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOSSi/c1-13(2)12(14)15-10-6-8-11(9-7-10)16(3,4)5/h6-9H,1-5H3.
What are the key properties of S-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate?
S-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate has a molecular weight of 253.44 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-trimethylsilylphenyl) N,N-dimethylcarbamothioate is sourced from PubChem (CID 23248773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).