7-thiophen-3-ylbenzo[g][1,3]benzothiazole

C15H9NS2 — CID 166068107

IUPAC7-thiophen-3-ylbenzo[g][1,3]benzothiazole
SMILESc1cc(-c2ccc3c(ccc4ncsc43)c2)cs1
InChIInChI=1S/C15H9NS2/c1-3-13-11(2-4-14-15(13)18-9-16-14)7-10(1)12-5-6-17-8-12/h1-9H
InChIKeyMJFPTHXELAFQLX-UHFFFAOYSA-N
MW267.38 g/mol
LogP5.18
Rot. Bonds1

About 7-thiophen-3-ylbenzo[g][1,3]benzothiazole

7-thiophen-3-ylbenzo[g][1,3]benzothiazole (PubChem CID 166068107) has the molecular formula C15H9NS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 7-thiophen-3-ylbenzo[g][1,3]benzothiazole.

Molecular Properties

Compound Name7-thiophen-3-ylbenzo[g][1,3]benzothiazole
PubChem CID166068107
Molecular FormulaC15H9NS2
Molecular Weight267.38 g/mol
Exact Mass267.02
IUPAC Name7-thiophen-3-ylbenzo[g][1,3]benzothiazole
SMILESc1cc(-c2ccc3c(ccc4ncsc43)c2)cs1
InChIInChI=1S/C15H9NS2/c1-3-13-11(2-4-14-15(13)18-9-16-14)7-10(1)12-5-6-17-8-12/h1-9H
InChIKeyMJFPTHXELAFQLX-UHFFFAOYSA-N
XLogP5.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.38
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-thiophen-3-ylbenzo[g][1,3]benzothiazole?
The IUPAC name of 7-thiophen-3-ylbenzo[g][1,3]benzothiazole (CID 166068107) is 7-thiophen-3-ylbenzo[g][1,3]benzothiazole.
What is the SMILES notation for 7-thiophen-3-ylbenzo[g][1,3]benzothiazole?
The canonical SMILES for 7-thiophen-3-ylbenzo[g][1,3]benzothiazole is c1cc(-c2ccc3c(ccc4ncsc43)c2)cs1.
What is the InChIKey of 7-thiophen-3-ylbenzo[g][1,3]benzothiazole?
The InChIKey is MJFPTHXELAFQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NS2/c1-3-13-11(2-4-14-15(13)18-9-16-14)7-10(1)12-5-6-17-8-12/h1-9H.
What are the key properties of 7-thiophen-3-ylbenzo[g][1,3]benzothiazole?
7-thiophen-3-ylbenzo[g][1,3]benzothiazole has a molecular weight of 267.38 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-3-ylbenzo[g][1,3]benzothiazole is sourced from PubChem (CID 166068107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).