hydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane

C10H16N2O2SSi2 — CID 102130593

IUPAChydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane
SMILESC[Si](C)(O)c1ccc([Si](C)(C)O)c2nsnc12
InChIInChI=1S/C10H16N2O2SSi2/c1-16(2,13)7-5-6-8(17(3,4)14)10-9(7)11-15-12-10/h5-6,13-14H,1-4H3
InChIKeyNNFBQANVGSNYGO-UHFFFAOYSA-N
MW284.49 g/mol
LogP0.50
Rot. Bonds2

About hydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane

hydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane (PubChem CID 102130593) has the molecular formula C10H16N2O2SSi2 and a molecular weight of 284.49 g/mol. Its IUPAC name is hydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane.

Molecular Properties

Compound Namehydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane
PubChem CID102130593
Molecular FormulaC10H16N2O2SSi2
Molecular Weight284.49 g/mol
Exact Mass284.05
IUPAC Namehydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane
SMILESC[Si](C)(O)c1ccc([Si](C)(C)O)c2nsnc12
InChIInChI=1S/C10H16N2O2SSi2/c1-16(2,13)7-5-6-8(17(3,4)14)10-9(7)11-15-12-10/h5-6,13-14H,1-4H3
InChIKeyNNFBQANVGSNYGO-UHFFFAOYSA-N
XLogP0.50
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 hydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane?
The IUPAC name of hydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane (CID 102130593) is hydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane.
What is the SMILES notation for hydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane?
The canonical SMILES for hydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane is C[Si](C)(O)c1ccc([Si](C)(C)O)c2nsnc12.
What is the InChIKey of hydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane?
The InChIKey is NNFBQANVGSNYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2SSi2/c1-16(2,13)7-5-6-8(17(3,4)14)10-9(7)11-15-12-10/h5-6,13-14H,1-4H3.
What are the key properties of hydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane?
hydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane has a molecular weight of 284.49 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane is sourced from PubChem (CID 102130593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).