[7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane

C12H18F2N2SSi2 — CID 123412233

IUPAC[7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane
SMILESC[SiH](C)Cc1c(F)c(F)c([Si](C)(C)C)c2nsnc12
InChIInChI=1S/C12H18F2N2SSi2/c1-18(2)6-7-8(13)9(14)12(19(3,4)5)11-10(7)15-17-16-11/h18H,6H2,1-5H3
InChIKeyQLRSUTFSMJAVFP-UHFFFAOYSA-N
MW316.53 g/mol
LogP3.08
Rot. Bonds3

About [7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane

[7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane (PubChem CID 123412233) has the molecular formula C12H18F2N2SSi2 and a molecular weight of 316.53 g/mol. Its IUPAC name is [7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane
PubChem CID123412233
Molecular FormulaC12H18F2N2SSi2
Molecular Weight316.53 g/mol
Exact Mass316.07
IUPAC Name[7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane
SMILESC[SiH](C)Cc1c(F)c(F)c([Si](C)(C)C)c2nsnc12
InChIInChI=1S/C12H18F2N2SSi2/c1-18(2)6-7-8(13)9(14)12(19(3,4)5)11-10(7)15-17-16-11/h18H,6H2,1-5H3
InChIKeyQLRSUTFSMJAVFP-UHFFFAOYSA-N
XLogP3.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 53.08
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 [7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane?
The IUPAC name of [7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane (CID 123412233) is [7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane.
What is the SMILES notation for [7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane?
The canonical SMILES for [7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane is C[SiH](C)Cc1c(F)c(F)c([Si](C)(C)C)c2nsnc12.
What is the InChIKey of [7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane?
The InChIKey is QLRSUTFSMJAVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2SSi2/c1-18(2)6-7-8(13)9(14)12(19(3,4)5)11-10(7)15-17-16-11/h18H,6H2,1-5H3.
What are the key properties of [7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane?
[7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane has a molecular weight of 316.53 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane is sourced from PubChem (CID 123412233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).