benzo[g][2,1,3]benzothiadiazole

C10H6N2S — CID 813943

IUPACbenzo[g][2,1,3]benzothiadiazole
SMILESc1ccc2c(c1)ccc1nsnc12
InChIInChI=1S/C10H6N2S/c1-2-4-8-7(3-1)5-6-9-10(8)12-13-11-9/h1-6H
InChIKeyOVUYEFLHMIBQIP-UHFFFAOYSA-N
MW186.24 g/mol
LogP2.84
Rot. Bonds

About benzo[g][2,1,3]benzothiadiazole

benzo[g][2,1,3]benzothiadiazole (PubChem CID 813943) has the molecular formula C10H6N2S and a molecular weight of 186.24 g/mol. Its IUPAC name is benzo[g][2,1,3]benzothiadiazole.

Molecular Properties

Compound Namebenzo[g][2,1,3]benzothiadiazole
PubChem CID813943
Molecular FormulaC10H6N2S
Molecular Weight186.24 g/mol
Exact Mass186.03
IUPAC Namebenzo[g][2,1,3]benzothiadiazole
SMILESc1ccc2c(c1)ccc1nsnc12
InChIInChI=1S/C10H6N2S/c1-2-4-8-7(3-1)5-6-9-10(8)12-13-11-9/h1-6H
InChIKeyOVUYEFLHMIBQIP-UHFFFAOYSA-N
XLogP2.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzo[g][2,1,3]benzothiadiazole?
The IUPAC name of benzo[g][2,1,3]benzothiadiazole (CID 813943) is benzo[g][2,1,3]benzothiadiazole.
What is the SMILES notation for benzo[g][2,1,3]benzothiadiazole?
The canonical SMILES for benzo[g][2,1,3]benzothiadiazole is c1ccc2c(c1)ccc1nsnc12.
What is the InChIKey of benzo[g][2,1,3]benzothiadiazole?
The InChIKey is OVUYEFLHMIBQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2S/c1-2-4-8-7(3-1)5-6-9-10(8)12-13-11-9/h1-6H.
What are the key properties of benzo[g][2,1,3]benzothiadiazole?
benzo[g][2,1,3]benzothiadiazole has a molecular weight of 186.24 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g][2,1,3]benzothiadiazole is sourced from PubChem (CID 813943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).