(5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane

C12H18F2N2SSn2 — CID 177405108

IUPAC(5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane
SMILESC[Sn](C)(C)c1c(F)c(F)c([Sn](C)(C)C)c2nsnc12
InChIInChI=1S/C6F2N2S.6CH3.2Sn/c7-3-1-5-6(2-4(3)8)10-11-9-5;;;;;;;;/h;6*1H3;;
InChIKeyAOQJTPSKDMLMPB-UHFFFAOYSA-N
MW497.78 g/mol
LogP3.06
Rot. Bonds2

About (5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane

(5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane (PubChem CID 177405108) has the molecular formula C12H18F2N2SSn2 and a molecular weight of 497.78 g/mol. Its IUPAC name is (5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane.

Molecular Properties

Compound Name(5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane
PubChem CID177405108
Molecular FormulaC12H18F2N2SSn2
Molecular Weight497.78 g/mol
Exact Mass499.92
IUPAC Name(5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane
SMILESC[Sn](C)(C)c1c(F)c(F)c([Sn](C)(C)C)c2nsnc12
InChIInChI=1S/C6F2N2S.6CH3.2Sn/c7-3-1-5-6(2-4(3)8)10-11-9-5;;;;;;;;/h;6*1H3;;
InChIKeyAOQJTPSKDMLMPB-UHFFFAOYSA-N
XLogP3.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.78
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane?
The IUPAC name of (5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane (CID 177405108) is (5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane.
What is the SMILES notation for (5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane?
The canonical SMILES for (5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane is C[Sn](C)(C)c1c(F)c(F)c([Sn](C)(C)C)c2nsnc12.
What is the InChIKey of (5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane?
The InChIKey is AOQJTPSKDMLMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F2N2S.6CH3.2Sn/c7-3-1-5-6(2-4(3)8)10-11-9-5;;;;;;;;/h;6*1H3;;.
What are the key properties of (5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane?
(5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane has a molecular weight of 497.78 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane is sourced from PubChem (CID 177405108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).