4-methyl-2,1,3-benzothiadiazole

C7H6N2S — CID 2781262

IUPAC4-methyl-2,1,3-benzothiadiazole
SMILESCc1cccc2nsnc12
InChIInChI=1S/C7H6N2S/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3
InChIKeyIYZKISWGGPKREZ-UHFFFAOYSA-N
MW150.21 g/mol
LogP2.00
Rot. Bonds

About 4-methyl-2,1,3-benzothiadiazole

4-methyl-2,1,3-benzothiadiazole (PubChem CID 2781262) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 4-methyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-methyl-2,1,3-benzothiadiazole
PubChem CID2781262
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name4-methyl-2,1,3-benzothiadiazole
SMILESCc1cccc2nsnc12
InChIInChI=1S/C7H6N2S/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3
InChIKeyIYZKISWGGPKREZ-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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Related Compounds

5-Methyl-1H-benzotriazole
CID 8705
4-Methyl-1H-benzotriazole
CID 122499
4-Amino-5-methylbenzo-2,1,3-benzothiadiazole
CID 960719
2,1,3-Benzothiadiazole
CID 67502
5,6-Dimethyl-2,1,3-benzoselenadiazole
CID 96655
5-Methylpiazselenol
CID 96824
Sodium tolyltriazole
CID 23687327
Benzo(c)(1,2,5)thiadiazol-4-ylmethanamine
CID 2795209
Piaselenole
CID 67503
5-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate
CID 140486
5-(Bromomethyl)-2,1,3-benzothiadiazole
CID 591004
5,6-Dimethyl-2,1,3-benzothiadiazole
CID 690255

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,1,3-benzothiadiazole?
The IUPAC name of 4-methyl-2,1,3-benzothiadiazole (CID 2781262) is 4-methyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-methyl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-methyl-2,1,3-benzothiadiazole is Cc1cccc2nsnc12.
What is the InChIKey of 4-methyl-2,1,3-benzothiadiazole?
The InChIKey is IYZKISWGGPKREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3.
What are the key properties of 4-methyl-2,1,3-benzothiadiazole?
4-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 4-methyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 2781262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).