(1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol

C8H22O2SSi2 — CID 173465149

IUPAC(1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol
SMILESCC[C@@](S)([SiH](OC)OC)[Si](C)(C)C
InChIInChI=1S/C8H22O2SSi2/c1-7-8(11,13(4,5)6)12(9-2)10-3/h11-12H,7H2,1-6H3/t8-/m1/s1
InChIKeyCPXMJYKTSJPKBD-MRVPVSSYSA-N
MW238.50 g/mol
LogP1.99
Rot. Bonds5

About (1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol

(1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol (PubChem CID 173465149) has the molecular formula C8H22O2SSi2 and a molecular weight of 238.50 g/mol. Its IUPAC name is (1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol.

Molecular Properties

Compound Name(1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol
PubChem CID173465149
Molecular FormulaC8H22O2SSi2
Molecular Weight238.50 g/mol
Exact Mass238.09
IUPAC Name(1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol
SMILESCC[C@@](S)([SiH](OC)OC)[Si](C)(C)C
InChIInChI=1S/C8H22O2SSi2/c1-7-8(11,13(4,5)6)12(9-2)10-3/h11-12H,7H2,1-6H3/t8-/m1/s1
InChIKeyCPXMJYKTSJPKBD-MRVPVSSYSA-N
XLogP1.99
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.50
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol?
The IUPAC name of (1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol (CID 173465149) is (1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol.
What is the SMILES notation for (1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol?
The canonical SMILES for (1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol is CC[C@@](S)([SiH](OC)OC)[Si](C)(C)C.
What is the InChIKey of (1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol?
The InChIKey is CPXMJYKTSJPKBD-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H22O2SSi2/c1-7-8(11,13(4,5)6)12(9-2)10-3/h11-12H,7H2,1-6H3/t8-/m1/s1.
What are the key properties of (1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol?
(1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol has a molecular weight of 238.50 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol is sourced from PubChem (CID 173465149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).