(2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol

C23H32O2SSi — CID 24906233

IUPAC(2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol
SMILESCC(C)(C)[Si](OCC[C@H]1SCCC[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O2SSi/c1-23(2,3)27(19-11-6-4-7-12-19,20-13-8-5-9-14-20)25-17-16-22-21(24)15-10-18-26-22/h4-9,11-14,21-22,24H,10,15-18H2,1-3H3/t21-,22+/m0/s1
InChIKeyOUCRVHBYJYTRLJ-FCHUYYIVSA-N
MW400.66 g/mol
LogP4.21
Rot. Bonds6

About (2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol

(2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol (PubChem CID 24906233) has the molecular formula C23H32O2SSi and a molecular weight of 400.66 g/mol. Its IUPAC name is (2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol
PubChem CID24906233
Molecular FormulaC23H32O2SSi
Molecular Weight400.66 g/mol
Exact Mass400.19
IUPAC Name(2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol
SMILESCC(C)(C)[Si](OCC[C@H]1SCCC[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O2SSi/c1-23(2,3)27(19-11-6-4-7-12-19,20-13-8-5-9-14-20)25-17-16-22-21(24)15-10-18-26-22/h4-9,11-14,21-22,24H,10,15-18H2,1-3H3/t21-,22+/m0/s1
InChIKeyOUCRVHBYJYTRLJ-FCHUYYIVSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.66
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol?
The IUPAC name of (2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol (CID 24906233) is (2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol.
What is the SMILES notation for (2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol?
The canonical SMILES for (2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol is CC(C)(C)[Si](OCC[C@H]1SCCC[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol?
The InChIKey is OUCRVHBYJYTRLJ-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H32O2SSi/c1-23(2,3)27(19-11-6-4-7-12-19,20-13-8-5-9-14-20)25-17-16-22-21(24)15-10-18-26-22/h4-9,11-14,21-22,24H,10,15-18H2,1-3H3/t21-,22+/m0/s1.
What are the key properties of (2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol?
(2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol has a molecular weight of 400.66 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]thian-3-ol is sourced from PubChem (CID 24906233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).