4,5-dihydrobenzo[e][1,2,3]benzothiadiazole

C10H8N2S — CID 851115

IUPAC4,5-dihydrobenzo[e][1,2,3]benzothiadiazole
SMILESc1ccc2c(c1)CCc1snnc1-2
InChIInChI=1S/C10H8N2S/c1-2-4-8-7(3-1)5-6-9-10(8)11-12-13-9/h1-4H,5-6H2
InChIKeyLDRNYXFIZRDPJG-UHFFFAOYSA-N
MW188.26 g/mol
LogP2.30
Rot. Bonds

About 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole

4,5-dihydrobenzo[e][1,2,3]benzothiadiazole (PubChem CID 851115) has the molecular formula C10H8N2S and a molecular weight of 188.26 g/mol. Its IUPAC name is 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole.

Molecular Properties

Compound Name4,5-dihydrobenzo[e][1,2,3]benzothiadiazole
PubChem CID851115
Molecular FormulaC10H8N2S
Molecular Weight188.26 g/mol
Exact Mass188.04
IUPAC Name4,5-dihydrobenzo[e][1,2,3]benzothiadiazole
SMILESc1ccc2c(c1)CCc1snnc1-2
InChIInChI=1S/C10H8N2S/c1-2-4-8-7(3-1)5-6-9-10(8)11-12-13-9/h1-4H,5-6H2
InChIKeyLDRNYXFIZRDPJG-UHFFFAOYSA-N
XLogP2.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole?
The IUPAC name of 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole (CID 851115) is 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole.
What is the SMILES notation for 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole?
The canonical SMILES for 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole is c1ccc2c(c1)CCc1snnc1-2.
What is the InChIKey of 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole?
The InChIKey is LDRNYXFIZRDPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S/c1-2-4-8-7(3-1)5-6-9-10(8)11-12-13-9/h1-4H,5-6H2.
What are the key properties of 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole?
4,5-dihydrobenzo[e][1,2,3]benzothiadiazole has a molecular weight of 188.26 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole is sourced from PubChem (CID 851115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).