3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol

C7H18OSSi — CID 22251041

IUPAC3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol
SMILESCO[Si](C)(C)CC(C)CS
InChIInChI=1S/C7H18OSSi/c1-7(5-9)6-10(3,4)8-2/h7,9H,5-6H2,1-4H3
InChIKeyXRNBDGJEOCDWBI-UHFFFAOYSA-N
MW178.37 g/mol
LogP2.40
Rot. Bonds4

About 3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol

3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol (PubChem CID 22251041) has the molecular formula C7H18OSSi and a molecular weight of 178.37 g/mol. Its IUPAC name is 3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol.

Molecular Properties

Compound Name3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol
PubChem CID22251041
Molecular FormulaC7H18OSSi
Molecular Weight178.37 g/mol
Exact Mass178.08
IUPAC Name3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol
SMILESCO[Si](C)(C)CC(C)CS
InChIInChI=1S/C7H18OSSi/c1-7(5-9)6-10(3,4)8-2/h7,9H,5-6H2,1-4H3
InChIKeyXRNBDGJEOCDWBI-UHFFFAOYSA-N
XLogP2.40
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol?
The IUPAC name of 3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol (CID 22251041) is 3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol.
What is the SMILES notation for 3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol?
The canonical SMILES for 3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol is CO[Si](C)(C)CC(C)CS.
What is the InChIKey of 3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol?
The InChIKey is XRNBDGJEOCDWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18OSSi/c1-7(5-9)6-10(3,4)8-2/h7,9H,5-6H2,1-4H3.
What are the key properties of 3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol?
3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol has a molecular weight of 178.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol is sourced from PubChem (CID 22251041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).