4-thiophen-2-yl-2,1,3-benzothiadiazole

C10H6N2S2 — CID 58113113

IUPAC4-thiophen-2-yl-2,1,3-benzothiadiazole
SMILESc1csc(-c2cccc3nsnc23)c1
InChIInChI=1S/C10H6N2S2/c1-3-7(9-5-2-6-13-9)10-8(4-1)11-14-12-10/h1-6H
InChIKeyZCRYWFWUORDZCU-UHFFFAOYSA-N
MW218.31 g/mol
LogP3.42
Rot. Bonds1

About 4-thiophen-2-yl-2,1,3-benzothiadiazole

4-thiophen-2-yl-2,1,3-benzothiadiazole (PubChem CID 58113113) has the molecular formula C10H6N2S2 and a molecular weight of 218.31 g/mol. Its IUPAC name is 4-thiophen-2-yl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-thiophen-2-yl-2,1,3-benzothiadiazole
PubChem CID58113113
Molecular FormulaC10H6N2S2
Molecular Weight218.31 g/mol
Exact Mass218.00
IUPAC Name4-thiophen-2-yl-2,1,3-benzothiadiazole
SMILESc1csc(-c2cccc3nsnc23)c1
InChIInChI=1S/C10H6N2S2/c1-3-7(9-5-2-6-13-9)10-8(4-1)11-14-12-10/h1-6H
InChIKeyZCRYWFWUORDZCU-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-2,1,3-benzothiadiazole?
The IUPAC name of 4-thiophen-2-yl-2,1,3-benzothiadiazole (CID 58113113) is 4-thiophen-2-yl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-thiophen-2-yl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-thiophen-2-yl-2,1,3-benzothiadiazole is c1csc(-c2cccc3nsnc23)c1.
What is the InChIKey of 4-thiophen-2-yl-2,1,3-benzothiadiazole?
The InChIKey is ZCRYWFWUORDZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2S2/c1-3-7(9-5-2-6-13-9)10-8(4-1)11-14-12-10/h1-6H.
What are the key properties of 4-thiophen-2-yl-2,1,3-benzothiadiazole?
4-thiophen-2-yl-2,1,3-benzothiadiazole has a molecular weight of 218.31 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-2,1,3-benzothiadiazole is sourced from PubChem (CID 58113113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).