5-methyl-2,1,3-benzothiadiazole

C7H6N2S — CID 2781249

IUPAC5-methyl-2,1,3-benzothiadiazole
SMILESCc1ccc2nsnc2c1
InChIInChI=1S/C7H6N2S/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3
InChIKeyXDQJAYFCPRWDOL-UHFFFAOYSA-N
MW150.21 g/mol
LogP2.00
Rot. Bonds

About 5-methyl-2,1,3-benzothiadiazole

5-methyl-2,1,3-benzothiadiazole (PubChem CID 2781249) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 5-methyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name5-methyl-2,1,3-benzothiadiazole
PubChem CID2781249
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name5-methyl-2,1,3-benzothiadiazole
SMILESCc1ccc2nsnc2c1
InChIInChI=1S/C7H6N2S/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3
InChIKeyXDQJAYFCPRWDOL-UHFFFAOYSA-N
XLogP2.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,1,3-benzothiadiazole?
The IUPAC name of 5-methyl-2,1,3-benzothiadiazole (CID 2781249) is 5-methyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 5-methyl-2,1,3-benzothiadiazole?
The canonical SMILES for 5-methyl-2,1,3-benzothiadiazole is Cc1ccc2nsnc2c1.
What is the InChIKey of 5-methyl-2,1,3-benzothiadiazole?
The InChIKey is XDQJAYFCPRWDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3.
What are the key properties of 5-methyl-2,1,3-benzothiadiazole?
5-methyl-2,1,3-benzothiadiazole has a molecular weight of 150.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 2781249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).