S-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate

C24H36O3SSi2 — CID 10389557

IUPACS-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@H](O[Si](C)(C)C)C(=O)Sc1ccccc1
InChIInChI=1S/C24H36O3SSi2/c1-24(2,3)30(7,8)27-21(19-15-11-9-12-16-19)22(26-29(4,5)6)23(25)28-20-17-13-10-14-18-20/h9-18,21-22H,1-8H3/t21-,22-/m0/s1
InChIKeyKLFZSKYIXUUJBO-VXKWHMMOSA-N
MW460.79 g/mol
LogP7.29
Rot. Bonds8

About S-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate

S-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate (PubChem CID 10389557) has the molecular formula C24H36O3SSi2 and a molecular weight of 460.79 g/mol. Its IUPAC name is S-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate.

Molecular Properties

Compound NameS-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate
PubChem CID10389557
Molecular FormulaC24H36O3SSi2
Molecular Weight460.79 g/mol
Exact Mass460.19
IUPAC NameS-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@H](O[Si](C)(C)C)C(=O)Sc1ccccc1
InChIInChI=1S/C24H36O3SSi2/c1-24(2,3)30(7,8)27-21(19-15-11-9-12-16-19)22(26-29(4,5)6)23(25)28-20-17-13-10-14-18-20/h9-18,21-22H,1-8H3/t21-,22-/m0/s1
InChIKeyKLFZSKYIXUUJBO-VXKWHMMOSA-N
XLogP7.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.79
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1,1-bis[(4-methylphenyl)sulfanyl]-3-phenyl-3-trimethylsilyloxypropan-2-one
CID 14813334
S-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-phenylpropanethioate
CID 10250545
S-phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-phenylpropanethioate
CID 10408831
S-ethyl (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylpropanethioate
CID 14930974
S-(4-methylphenyl) (2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-6-(phenylmethoxymethyl)oxane-2-carbothioate
CID 52912326
S-phenyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxo-4-phenylbutanethioate
CID 134832013
S-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylpropanethioate
CID 134904593
ethyl (2R)-2-[2-(4-methylphenyl)sulfinylphenyl]-2-tri(propan-2-yl)silyloxyacetate
CID 134918710
S-ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylpropanethioate
CID 134931464
(2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal
CID 134940383
S-phenyl 3-phenyl-3-trimethylsilyloxybutanethioate
CID 134950083
tert-butyl-dimethyl-[(E,1S,2S)-1-phenyl-2-phenylsulfanyldec-3-enoxy]silane
CID 135018818

Frequently Asked Questions

What is the IUPAC name of S-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate?
The IUPAC name of S-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate (CID 10389557) is S-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate.
What is the SMILES notation for S-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate?
The canonical SMILES for S-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate is CC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@H](O[Si](C)(C)C)C(=O)Sc1ccccc1.
What is the InChIKey of S-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate?
The InChIKey is KLFZSKYIXUUJBO-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H36O3SSi2/c1-24(2,3)30(7,8)27-21(19-15-11-9-12-16-19)22(26-29(4,5)6)23(25)28-20-17-13-10-14-18-20/h9-18,21-22H,1-8H3/t21-,22-/m0/s1.
What are the key properties of S-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate?
S-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate has a molecular weight of 460.79 g/mol, XLogP of 7.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-phenyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-trimethylsilyloxypropanethioate is sourced from PubChem (CID 10389557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).