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

C10H6N2S3 — CID 2750959

IUPAC2,5-dithiophen-2-yl-1,3,4-thiadiazole
SMILESc1csc(-c2nnc(-c3cccs3)s2)c1
InChIInChI=1S/C10H6N2S3/c1-3-7(13-5-1)9-11-12-10(15-9)8-4-2-6-14-8/h1-6H
InChIKeyRMPQBSKBNKYOEW-UHFFFAOYSA-N
MW250.37 g/mol
LogP4.00
Rot. Bonds2

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

2,5-dithiophen-2-yl-1,3,4-thiadiazole (PubChem CID 2750959) has the molecular formula C10H6N2S3 and a molecular weight of 250.37 g/mol. Its IUPAC name is 2,5-dithiophen-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-dithiophen-2-yl-1,3,4-thiadiazole
PubChem CID2750959
Molecular FormulaC10H6N2S3
Molecular Weight250.37 g/mol
Exact Mass249.97
IUPAC Name2,5-dithiophen-2-yl-1,3,4-thiadiazole
SMILESc1csc(-c2nnc(-c3cccs3)s2)c1
InChIInChI=1S/C10H6N2S3/c1-3-7(13-5-1)9-11-12-10(15-9)8-4-2-6-14-8/h1-6H
InChIKeyRMPQBSKBNKYOEW-UHFFFAOYSA-N
XLogP4.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dithiophen-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2,5-dithiophen-2-yl-1,3,4-thiadiazole (CID 2750959) is 2,5-dithiophen-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-dithiophen-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2,5-dithiophen-2-yl-1,3,4-thiadiazole is c1csc(-c2nnc(-c3cccs3)s2)c1.
What is the InChIKey of 2,5-dithiophen-2-yl-1,3,4-thiadiazole?
The InChIKey is RMPQBSKBNKYOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2S3/c1-3-7(13-5-1)9-11-12-10(15-9)8-4-2-6-14-8/h1-6H.
What are the key properties of 2,5-dithiophen-2-yl-1,3,4-thiadiazole?
2,5-dithiophen-2-yl-1,3,4-thiadiazole has a molecular weight of 250.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dithiophen-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 2750959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).