3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one

C23H29NO2S3Si — CID 173409974

IUPAC3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one
SMILESCCSC(=S)SC1NC(=O)C1C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H29NO2S3Si/c1-5-28-22(27)29-21-18(20(25)24-21)19(23(2,3)4)26-30(16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,18-19,21,30H,5H2,1-4H3,(H,24,25)
InChIKeyZVZCEPHGMCIQEV-UHFFFAOYSA-N
MW475.78 g/mol
LogP3.80
Rot. Bonds7

About 3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one

3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one (PubChem CID 173409974) has the molecular formula C23H29NO2S3Si and a molecular weight of 475.78 g/mol. Its IUPAC name is 3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one.

Molecular Properties

Compound Name3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one
PubChem CID173409974
Molecular FormulaC23H29NO2S3Si
Molecular Weight475.78 g/mol
Exact Mass475.11
IUPAC Name3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one
SMILESCCSC(=S)SC1NC(=O)C1C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H29NO2S3Si/c1-5-28-22(27)29-21-18(20(25)24-21)19(23(2,3)4)26-30(16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,18-19,21,30H,5H2,1-4H3,(H,24,25)
InChIKeyZVZCEPHGMCIQEV-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.78
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one?
The IUPAC name of 3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one (CID 173409974) is 3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one.
What is the SMILES notation for 3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one?
The canonical SMILES for 3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one is CCSC(=S)SC1NC(=O)C1C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one?
The InChIKey is ZVZCEPHGMCIQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2S3Si/c1-5-28-22(27)29-21-18(20(25)24-21)19(23(2,3)4)26-30(16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,18-19,21,30H,5H2,1-4H3,(H,24,25).
What are the key properties of 3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one?
3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one has a molecular weight of 475.78 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-4-ethylsulfanylcarbothioylsulfanylazetidin-2-one is sourced from PubChem (CID 173409974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).