6H-indeno[4,5-g][1,3]benzothiazole

C14H9NS — CID 57375463

IUPAC6H-indeno[4,5-g][1,3]benzothiazole
SMILESC1=Cc2c(ccc3c2ccc2ncsc23)C1
InChIInChI=1S/C14H9NS/c1-2-9-4-5-12-11(10(9)3-1)6-7-13-14(12)16-8-15-13/h1,3-8H,2H2
InChIKeyOXYQGSWJBCSPEE-UHFFFAOYSA-N
MW223.30 g/mol
LogP4.02
Rot. Bonds

About 6H-indeno[4,5-g][1,3]benzothiazole

6H-indeno[4,5-g][1,3]benzothiazole (PubChem CID 57375463) has the molecular formula C14H9NS and a molecular weight of 223.30 g/mol. Its IUPAC name is 6H-indeno[4,5-g][1,3]benzothiazole.

Molecular Properties

Compound Name6H-indeno[4,5-g][1,3]benzothiazole
PubChem CID57375463
Molecular FormulaC14H9NS
Molecular Weight223.30 g/mol
Exact Mass223.05
IUPAC Name6H-indeno[4,5-g][1,3]benzothiazole
SMILESC1=Cc2c(ccc3c2ccc2ncsc23)C1
InChIInChI=1S/C14H9NS/c1-2-9-4-5-12-11(10(9)3-1)6-7-13-14(12)16-8-15-13/h1,3-8H,2H2
InChIKeyOXYQGSWJBCSPEE-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-indeno[4,5-g][1,3]benzothiazole?
The IUPAC name of 6H-indeno[4,5-g][1,3]benzothiazole (CID 57375463) is 6H-indeno[4,5-g][1,3]benzothiazole.
What is the SMILES notation for 6H-indeno[4,5-g][1,3]benzothiazole?
The canonical SMILES for 6H-indeno[4,5-g][1,3]benzothiazole is C1=Cc2c(ccc3c2ccc2ncsc23)C1.
What is the InChIKey of 6H-indeno[4,5-g][1,3]benzothiazole?
The InChIKey is OXYQGSWJBCSPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NS/c1-2-9-4-5-12-11(10(9)3-1)6-7-13-14(12)16-8-15-13/h1,3-8H,2H2.
What are the key properties of 6H-indeno[4,5-g][1,3]benzothiazole?
6H-indeno[4,5-g][1,3]benzothiazole has a molecular weight of 223.30 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-indeno[4,5-g][1,3]benzothiazole is sourced from PubChem (CID 57375463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).