4,5-dithiophen-2-yl-2,1,3-benzothiadiazole

C14H8N2S3 — CID 71186474

IUPAC4,5-dithiophen-2-yl-2,1,3-benzothiadiazole
SMILESc1csc(-c2ccc3nsnc3c2-c2cccs2)c1
InChIInChI=1S/C14H8N2S3/c1-3-11(17-7-1)9-5-6-10-14(16-19-15-10)13(9)12-4-2-8-18-12/h1-8H
InChIKeyJEUYTZKVCAQKCV-UHFFFAOYSA-N
MW300.43 g/mol
LogP5.15
Rot. Bonds2

About 4,5-dithiophen-2-yl-2,1,3-benzothiadiazole

4,5-dithiophen-2-yl-2,1,3-benzothiadiazole (PubChem CID 71186474) has the molecular formula C14H8N2S3 and a molecular weight of 300.43 g/mol. Its IUPAC name is 4,5-dithiophen-2-yl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4,5-dithiophen-2-yl-2,1,3-benzothiadiazole
PubChem CID71186474
Molecular FormulaC14H8N2S3
Molecular Weight300.43 g/mol
Exact Mass299.98
IUPAC Name4,5-dithiophen-2-yl-2,1,3-benzothiadiazole
SMILESc1csc(-c2ccc3nsnc3c2-c2cccs2)c1
InChIInChI=1S/C14H8N2S3/c1-3-11(17-7-1)9-5-6-10-14(16-19-15-10)13(9)12-4-2-8-18-12/h1-8H
InChIKeyJEUYTZKVCAQKCV-UHFFFAOYSA-N
XLogP5.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.43
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dithiophen-2-yl-2,1,3-benzothiadiazole?
The IUPAC name of 4,5-dithiophen-2-yl-2,1,3-benzothiadiazole (CID 71186474) is 4,5-dithiophen-2-yl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4,5-dithiophen-2-yl-2,1,3-benzothiadiazole?
The canonical SMILES for 4,5-dithiophen-2-yl-2,1,3-benzothiadiazole is c1csc(-c2ccc3nsnc3c2-c2cccs2)c1.
What is the InChIKey of 4,5-dithiophen-2-yl-2,1,3-benzothiadiazole?
The InChIKey is JEUYTZKVCAQKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2S3/c1-3-11(17-7-1)9-5-6-10-14(16-19-15-10)13(9)12-4-2-8-18-12/h1-8H.
What are the key properties of 4,5-dithiophen-2-yl-2,1,3-benzothiadiazole?
4,5-dithiophen-2-yl-2,1,3-benzothiadiazole has a molecular weight of 300.43 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dithiophen-2-yl-2,1,3-benzothiadiazole is sourced from PubChem (CID 71186474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).