4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole

C14H7FN2S3 — CID 141278365

IUPAC4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole
SMILESFc1c(-c2cccs2)c(-c2cccs2)cc2snnc12
InChIInChI=1S/C14H7FN2S3/c15-13-12(10-4-2-6-19-10)8(9-3-1-5-18-9)7-11-14(13)16-17-20-11/h1-7H
InChIKeyFVZRTALVBWZUMX-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.29
Rot. Bonds2

About 4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole

4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole (PubChem CID 141278365) has the molecular formula C14H7FN2S3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole.

Molecular Properties

Compound Name4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole
PubChem CID141278365
Molecular FormulaC14H7FN2S3
Molecular Weight318.42 g/mol
Exact Mass317.98
IUPAC Name4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole
SMILESFc1c(-c2cccs2)c(-c2cccs2)cc2snnc12
InChIInChI=1S/C14H7FN2S3/c15-13-12(10-4-2-6-19-10)8(9-3-1-5-18-9)7-11-14(13)16-17-20-11/h1-7H
InChIKeyFVZRTALVBWZUMX-UHFFFAOYSA-N
XLogP5.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole?
The IUPAC name of 4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole (CID 141278365) is 4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole.
What is the SMILES notation for 4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole?
The canonical SMILES for 4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole is Fc1c(-c2cccs2)c(-c2cccs2)cc2snnc12.
What is the InChIKey of 4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole?
The InChIKey is FVZRTALVBWZUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7FN2S3/c15-13-12(10-4-2-6-19-10)8(9-3-1-5-18-9)7-11-14(13)16-17-20-11/h1-7H.
What are the key properties of 4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole?
4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole has a molecular weight of 318.42 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole is sourced from PubChem (CID 141278365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).