3-methylbenzo[g][1,2]benzothiazole

C12H9NS — CID 773815

IUPAC3-methylbenzo[g][1,2]benzothiazole
SMILESCc1nsc2c1ccc1ccccc12
InChIInChI=1S/C12H9NS/c1-8-10-7-6-9-4-2-3-5-11(9)12(10)14-13-8/h2-7H,1H3
InChIKeyQRAOIGYCGXKKQG-UHFFFAOYSA-N
MW199.28 g/mol
LogP3.76
Rot. Bonds

About 3-methylbenzo[g][1,2]benzothiazole

3-methylbenzo[g][1,2]benzothiazole (PubChem CID 773815) has the molecular formula C12H9NS and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-methylbenzo[g][1,2]benzothiazole.

Molecular Properties

Compound Name3-methylbenzo[g][1,2]benzothiazole
PubChem CID773815
Molecular FormulaC12H9NS
Molecular Weight199.28 g/mol
Exact Mass199.05
IUPAC Name3-methylbenzo[g][1,2]benzothiazole
SMILESCc1nsc2c1ccc1ccccc12
InChIInChI=1S/C12H9NS/c1-8-10-7-6-9-4-2-3-5-11(9)12(10)14-13-8/h2-7H,1H3
InChIKeyQRAOIGYCGXKKQG-UHFFFAOYSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methylbenzo[g][1,2]benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylbenzo[g][1,2]benzothiazole?
The IUPAC name of 3-methylbenzo[g][1,2]benzothiazole (CID 773815) is 3-methylbenzo[g][1,2]benzothiazole.
What is the SMILES notation for 3-methylbenzo[g][1,2]benzothiazole?
The canonical SMILES for 3-methylbenzo[g][1,2]benzothiazole is Cc1nsc2c1ccc1ccccc12.
What is the InChIKey of 3-methylbenzo[g][1,2]benzothiazole?
The InChIKey is QRAOIGYCGXKKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS/c1-8-10-7-6-9-4-2-3-5-11(9)12(10)14-13-8/h2-7H,1H3.
What are the key properties of 3-methylbenzo[g][1,2]benzothiazole?
3-methylbenzo[g][1,2]benzothiazole has a molecular weight of 199.28 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbenzo[g][1,2]benzothiazole is sourced from PubChem (CID 773815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).