(5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane

C12H18ClFN2SSi2 — CID 142587575

IUPAC(5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane
SMILESC[Si](C)(C)c1c(F)c(Cl)c([Si](C)(C)C)c2nsnc12
InChIInChI=1S/C12H18ClFN2SSi2/c1-18(2,3)11-7(13)8(14)12(19(4,5)6)10-9(11)15-17-16-10/h1-6H3
InChIKeyQFQCGWPUISJCHK-UHFFFAOYSA-N
MW332.98 g/mol
LogP3.57
Rot. Bonds2

About (5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane

(5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane (PubChem CID 142587575) has the molecular formula C12H18ClFN2SSi2 and a molecular weight of 332.98 g/mol. Its IUPAC name is (5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane.

Molecular Properties

Compound Name(5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane
PubChem CID142587575
Molecular FormulaC12H18ClFN2SSi2
Molecular Weight332.98 g/mol
Exact Mass332.04
IUPAC Name(5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane
SMILESC[Si](C)(C)c1c(F)c(Cl)c([Si](C)(C)C)c2nsnc12
InChIInChI=1S/C12H18ClFN2SSi2/c1-18(2,3)11-7(13)8(14)12(19(4,5)6)10-9(11)15-17-16-10/h1-6H3
InChIKeyQFQCGWPUISJCHK-UHFFFAOYSA-N
XLogP3.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.98
LogP ≤ 53.57
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 (5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane?
The IUPAC name of (5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane (CID 142587575) is (5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane.
What is the SMILES notation for (5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane?
The canonical SMILES for (5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane is C[Si](C)(C)c1c(F)c(Cl)c([Si](C)(C)C)c2nsnc12.
What is the InChIKey of (5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane?
The InChIKey is QFQCGWPUISJCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2SSi2/c1-18(2,3)11-7(13)8(14)12(19(4,5)6)10-9(11)15-17-16-10/h1-6H3.
What are the key properties of (5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane?
(5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane has a molecular weight of 332.98 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane is sourced from PubChem (CID 142587575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).