S-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate

C15H24O2SSi — CID 134886996

IUPACS-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)Sc1ccccc1
InChIInChI=1S/C15H24O2SSi/c1-12(17-19(5,6)15(2,3)4)14(16)18-13-10-8-7-9-11-13/h7-12H,1-6H3/t12-/m0/s1
InChIKeyZVLSCJLQTBSNKI-LBPRGKRZSA-N
MW296.51 g/mol
LogP4.72
Rot. Bonds4

About S-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate

S-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate (PubChem CID 134886996) has the molecular formula C15H24O2SSi and a molecular weight of 296.51 g/mol. Its IUPAC name is S-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate.

Molecular Properties

Compound NameS-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate
PubChem CID134886996
Molecular FormulaC15H24O2SSi
Molecular Weight296.51 g/mol
Exact Mass296.13
IUPAC NameS-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)Sc1ccccc1
InChIInChI=1S/C15H24O2SSi/c1-12(17-19(5,6)15(2,3)4)14(16)18-13-10-8-7-9-11-13/h7-12H,1-6H3/t12-/m0/s1
InChIKeyZVLSCJLQTBSNKI-LBPRGKRZSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-one
CID 101209372
S-phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanethioate
CID 10098091
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
S-phenyl (2R)-2-phenylmethoxypropanethioate
CID 15356044
1-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-phenylsulfanylpropan-2-one
CID 138977697
S-(4-methylphenyl) (2R,3S)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanethioate
CID 10716473
benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 176759089
methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanoate
CID 11674267
phenyl (2S)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanedithioate
CID 57126235
2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid
CID 69196947
4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]benzoic acid
CID 18350730
S-octyl 2-[tert-butyl(dimethyl)silyl]oxypropanethioate
CID 101482188

Frequently Asked Questions

What is the IUPAC name of S-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate?
The IUPAC name of S-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate (CID 134886996) is S-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate.
What is the SMILES notation for S-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate?
The canonical SMILES for S-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate is C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)Sc1ccccc1.
What is the InChIKey of S-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate?
The InChIKey is ZVLSCJLQTBSNKI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24O2SSi/c1-12(17-19(5,6)15(2,3)4)14(16)18-13-10-8-7-9-11-13/h7-12H,1-6H3/t12-/m0/s1.
What are the key properties of S-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate?
S-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate has a molecular weight of 296.51 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate is sourced from PubChem (CID 134886996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).