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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Related Compounds

4,7-Di(thiophen-2-yl)benzo(c)(1,2,5)thiadiazole
CID 396294
2,1,3-Benzothiadiazole, 4,7-bis(5-(trimethylstannyl)-2-thienyl)-
CID 58153009
5-(Thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole
CID 2821722
5,6-Difluoro-4,7-di(2-thienyl)-2,1,3-benzothiadiazole
CID 66780891
5,6-Difluoro-4,7-bis(5-(trimethylstannyl)thiophen-2-yl)benzo[c][1,2,5]thiadiazole
CID 90317169
5-Fluoro-4,7-bis(4-hexylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 102196442
(6-Fluoro-4-(5'-hexyl-(2,2'-bithiophen)-5-yl)benzo[c](1,2,5)thiadiazole)
CID 129855579
4-Thiophen-2-yl-2,1,3-benzothiadiazole
CID 58113113
4-[5-(2,1,3-Benzothiadiazol-4-yl)thiophen-2-yl]-2,1,3-benzothiadiazole
CID 101790026
4-(5-Thiophen-2-ylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 396295
4,7-Bis(3,4-difluorothiophen-2-yl)-2,1,3-benzothiadiazole
CID 102312626
5,6-Difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole
CID 135043468

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).