8-ethylbenzo[g][1,3]benzothiazole

C13H11NS — CID 19102479

IUPAC8-ethylbenzo[g][1,3]benzothiazole
SMILESCCc1ccc2ccc3ncsc3c2c1
InChIInChI=1S/C13H11NS/c1-2-9-3-4-10-5-6-12-13(11(10)7-9)15-8-14-12/h3-8H,2H2,1H3
InChIKeyMZJCKHVPGDOLMK-UHFFFAOYSA-N
MW213.31 g/mol
LogP4.01
Rot. Bonds1

About 8-ethylbenzo[g][1,3]benzothiazole

8-ethylbenzo[g][1,3]benzothiazole (PubChem CID 19102479) has the molecular formula C13H11NS and a molecular weight of 213.31 g/mol. Its IUPAC name is 8-ethylbenzo[g][1,3]benzothiazole.

Molecular Properties

Compound Name8-ethylbenzo[g][1,3]benzothiazole
PubChem CID19102479
Molecular FormulaC13H11NS
Molecular Weight213.31 g/mol
Exact Mass213.06
IUPAC Name8-ethylbenzo[g][1,3]benzothiazole
SMILESCCc1ccc2ccc3ncsc3c2c1
InChIInChI=1S/C13H11NS/c1-2-9-3-4-10-5-6-12-13(11(10)7-9)15-8-14-12/h3-8H,2H2,1H3
InChIKeyMZJCKHVPGDOLMK-UHFFFAOYSA-N
XLogP4.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethylbenzo[g][1,3]benzothiazole?
The IUPAC name of 8-ethylbenzo[g][1,3]benzothiazole (CID 19102479) is 8-ethylbenzo[g][1,3]benzothiazole.
What is the SMILES notation for 8-ethylbenzo[g][1,3]benzothiazole?
The canonical SMILES for 8-ethylbenzo[g][1,3]benzothiazole is CCc1ccc2ccc3ncsc3c2c1.
What is the InChIKey of 8-ethylbenzo[g][1,3]benzothiazole?
The InChIKey is MZJCKHVPGDOLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS/c1-2-9-3-4-10-5-6-12-13(11(10)7-9)15-8-14-12/h3-8H,2H2,1H3.
What are the key properties of 8-ethylbenzo[g][1,3]benzothiazole?
8-ethylbenzo[g][1,3]benzothiazole has a molecular weight of 213.31 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylbenzo[g][1,3]benzothiazole is sourced from PubChem (CID 19102479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).