[4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane

C22H22F2N2SSi2 — CID 135034094

IUPAC[4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)c1c(F)c(F)c([Si](C)(C)c2ccccc2)c2nsnc12
InChIInChI=1S/C22H22F2N2SSi2/c1-28(2,15-11-7-5-8-12-15)21-17(23)18(24)22(20-19(21)25-27-26-20)29(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
InChIKeyKDKHAUHSQIURSO-UHFFFAOYSA-N
MW440.67 g/mol
LogP3.61
Rot. Bonds4

About [4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane

[4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane (PubChem CID 135034094) has the molecular formula C22H22F2N2SSi2 and a molecular weight of 440.67 g/mol. Its IUPAC name is [4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane
PubChem CID135034094
Molecular FormulaC22H22F2N2SSi2
Molecular Weight440.67 g/mol
Exact Mass440.10
IUPAC Name[4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)c1c(F)c(F)c([Si](C)(C)c2ccccc2)c2nsnc12
InChIInChI=1S/C22H22F2N2SSi2/c1-28(2,15-11-7-5-8-12-15)21-17(23)18(24)22(20-19(21)25-27-26-20)29(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
InChIKeyKDKHAUHSQIURSO-UHFFFAOYSA-N
XLogP3.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.67
LogP ≤ 53.61
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 [4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane?
The IUPAC name of [4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane (CID 135034094) is [4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane?
The canonical SMILES for [4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane is C[Si](C)(c1ccccc1)c1c(F)c(F)c([Si](C)(C)c2ccccc2)c2nsnc12.
What is the InChIKey of [4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane?
The InChIKey is KDKHAUHSQIURSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2SSi2/c1-28(2,15-11-7-5-8-12-15)21-17(23)18(24)22(20-19(21)25-27-26-20)29(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3.
What are the key properties of [4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane?
[4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane has a molecular weight of 440.67 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 135034094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).