5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole

C8H6F2N2S — CID 58037133

IUPAC5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole
SMILESCc1c(F)c(F)c(C)c2nsnc12
InChIInChI=1S/C8H6F2N2S/c1-3-5(9)6(10)4(2)8-7(3)11-13-12-8/h1-2H3
InChIKeyDHEMFSOIOTXKSZ-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.59
Rot. Bonds

About 5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole

5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole (PubChem CID 58037133) has the molecular formula C8H6F2N2S and a molecular weight of 200.21 g/mol. Its IUPAC name is 5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole
PubChem CID58037133
Molecular FormulaC8H6F2N2S
Molecular Weight200.21 g/mol
Exact Mass200.02
IUPAC Name5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole
SMILESCc1c(F)c(F)c(C)c2nsnc12
InChIInChI=1S/C8H6F2N2S/c1-3-5(9)6(10)4(2)8-7(3)11-13-12-8/h1-2H3
InChIKeyDHEMFSOIOTXKSZ-UHFFFAOYSA-N
XLogP2.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole?
The IUPAC name of 5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole (CID 58037133) is 5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole?
The canonical SMILES for 5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole is Cc1c(F)c(F)c(C)c2nsnc12.
What is the InChIKey of 5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole?
The InChIKey is DHEMFSOIOTXKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2S/c1-3-5(9)6(10)4(2)8-7(3)11-13-12-8/h1-2H3.
What are the key properties of 5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole?
5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole has a molecular weight of 200.21 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-4,7-dimethyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 58037133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).