1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane

C13H19NOSSi — CID 141398892

IUPAC1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2ncsc2c1
InChIInChI=1S/C13H19NOSSi/c1-13(2,3)17(4,5)15-10-6-7-11-12(8-10)16-9-14-11/h6-9H,1-5H3
InChIKeyGJSNRIRILSJNSE-UHFFFAOYSA-N
MW265.45 g/mol
LogP4.68
Rot. Bonds2

About 1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane

1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane (PubChem CID 141398892) has the molecular formula C13H19NOSSi and a molecular weight of 265.45 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane
PubChem CID141398892
Molecular FormulaC13H19NOSSi
Molecular Weight265.45 g/mol
Exact Mass265.10
IUPAC Name1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2ncsc2c1
InChIInChI=1S/C13H19NOSSi/c1-13(2,3)17(4,5)15-10-6-7-11-12(8-10)16-9-14-11/h6-9H,1-5H3
InChIKeyGJSNRIRILSJNSE-UHFFFAOYSA-N
XLogP4.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
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 1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane (CID 141398892) is 1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc2ncsc2c1.
What is the InChIKey of 1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane?
The InChIKey is GJSNRIRILSJNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOSSi/c1-13(2,3)17(4,5)15-10-6-7-11-12(8-10)16-9-14-11/h6-9H,1-5H3.
What are the key properties of 1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane?
1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane has a molecular weight of 265.45 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 141398892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).