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

C11H9NS — CID 150002534

IUPAC2,3-dihydrobenzo[g][1,2]benzothiazole
SMILESc1ccc2c3c(ccc2c1)CNS3
InChIInChI=1S/C11H9NS/c1-2-4-10-8(3-1)5-6-9-7-12-13-11(9)10/h1-6,12H,7H2
InChIKeyDBPGRFYENFGVAA-UHFFFAOYSA-N
MW187.27 g/mol
LogP2.95
Rot. Bonds

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

2,3-dihydrobenzo[g][1,2]benzothiazole (PubChem CID 150002534) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2,3-dihydrobenzo[g][1,2]benzothiazole.

Molecular Properties

Compound Name2,3-dihydrobenzo[g][1,2]benzothiazole
PubChem CID150002534
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Name2,3-dihydrobenzo[g][1,2]benzothiazole
SMILESc1ccc2c3c(ccc2c1)CNS3
InChIInChI=1S/C11H9NS/c1-2-4-10-8(3-1)5-6-9-7-12-13-11(9)10/h1-6,12H,7H2
InChIKeyDBPGRFYENFGVAA-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrobenzo[g][1,2]benzothiazole?
The IUPAC name of 2,3-dihydrobenzo[g][1,2]benzothiazole (CID 150002534) is 2,3-dihydrobenzo[g][1,2]benzothiazole.
What is the SMILES notation for 2,3-dihydrobenzo[g][1,2]benzothiazole?
The canonical SMILES for 2,3-dihydrobenzo[g][1,2]benzothiazole is c1ccc2c3c(ccc2c1)CNS3.
What is the InChIKey of 2,3-dihydrobenzo[g][1,2]benzothiazole?
The InChIKey is DBPGRFYENFGVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS/c1-2-4-10-8(3-1)5-6-9-7-12-13-11(9)10/h1-6,12H,7H2.
What are the key properties of 2,3-dihydrobenzo[g][1,2]benzothiazole?
2,3-dihydrobenzo[g][1,2]benzothiazole has a molecular weight of 187.27 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrobenzo[g][1,2]benzothiazole is sourced from PubChem (CID 150002534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).