O-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate

C14H22OSSi — CID 140978367

IUPACO-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate
SMILESCC(C)(C)[Si](C)(C)CC(=S)Oc1ccccc1
InChIInChI=1S/C14H22OSSi/c1-14(2,3)17(4,5)11-13(16)15-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeyATFUXYNKSJPWTK-UHFFFAOYSA-N
MW266.48 g/mol
LogP4.90
Rot. Bonds3

About O-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate

O-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate (PubChem CID 140978367) has the molecular formula C14H22OSSi and a molecular weight of 266.48 g/mol. Its IUPAC name is O-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate.

Molecular Properties

Compound NameO-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate
PubChem CID140978367
Molecular FormulaC14H22OSSi
Molecular Weight266.48 g/mol
Exact Mass266.12
IUPAC NameO-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate
SMILESCC(C)(C)[Si](C)(C)CC(=S)Oc1ccccc1
InChIInChI=1S/C14H22OSSi/c1-14(2,3)17(4,5)11-13(16)15-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeyATFUXYNKSJPWTK-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate
CID 87249033
2-(2-phenoxy-2-sulfanylideneethoxy)acetic acid
CID 150690541
O-phenyl N,N-dimethylcarbamothioate;propane
CID 145493124
O-phenyl 3-[bis(trimethylsilyl)amino]hex-5-ynethioate
CID 87248817
O-phenyl iodomethanethioate
CID 145496288
O-tert-butyl 2-phenylethanethioate
CID 101403066
phenyl 4-iodo-3,3-dimethylbutanoate
CID 69076089
phenyl 3,3-dimethyl-4-oxobutanoate
CID 162705347
phenyl 2-butan-2-yl-4,4-dimethylpentanoate
CID 123763642
phenyl acetate;hydroiodide
CID 172788123
O-phenyl 5-[ethyl(trimethylsilyl)amino]pyrimidine-2-carbothioate
CID 87248871
O-phenyl N-[3-[tert-butyl(methyl)amino]propyl]-N-methylcarbamothioate
CID 100998038

Frequently Asked Questions

What is the IUPAC name of O-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate?
The IUPAC name of O-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate (CID 140978367) is O-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate.
What is the SMILES notation for O-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate?
The canonical SMILES for O-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate is CC(C)(C)[Si](C)(C)CC(=S)Oc1ccccc1.
What is the InChIKey of O-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate?
The InChIKey is ATFUXYNKSJPWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OSSi/c1-14(2,3)17(4,5)11-13(16)15-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3.
What are the key properties of O-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate?
O-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate has a molecular weight of 266.48 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate is sourced from PubChem (CID 140978367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).