5,6-dimethyl-2,1,3-benzothiadiazole

C8H8N2S — CID 690255

IUPAC5,6-dimethyl-2,1,3-benzothiadiazole
SMILESCc1cc2nsnc2cc1C
InChIInChI=1S/C8H8N2S/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3
InChIKeyQQCMLCGOLBUDJF-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.31
Rot. Bonds

About 5,6-dimethyl-2,1,3-benzothiadiazole

5,6-dimethyl-2,1,3-benzothiadiazole (PubChem CID 690255) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 5,6-dimethyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name5,6-dimethyl-2,1,3-benzothiadiazole
PubChem CID690255
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name5,6-dimethyl-2,1,3-benzothiadiazole
SMILESCc1cc2nsnc2cc1C
InChIInChI=1S/C8H8N2S/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3
InChIKeyQQCMLCGOLBUDJF-UHFFFAOYSA-N
XLogP2.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,1,3-benzothiadiazole?
The IUPAC name of 5,6-dimethyl-2,1,3-benzothiadiazole (CID 690255) is 5,6-dimethyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 5,6-dimethyl-2,1,3-benzothiadiazole?
The canonical SMILES for 5,6-dimethyl-2,1,3-benzothiadiazole is Cc1cc2nsnc2cc1C.
What is the InChIKey of 5,6-dimethyl-2,1,3-benzothiadiazole?
The InChIKey is QQCMLCGOLBUDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3.
What are the key properties of 5,6-dimethyl-2,1,3-benzothiadiazole?
5,6-dimethyl-2,1,3-benzothiadiazole has a molecular weight of 164.23 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 690255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).