5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole

C6H6N2S2 — CID 148966277

IUPAC5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole
SMILESCc1sc2nsnc2c1C
InChIInChI=1S/C6H6N2S2/c1-3-4(2)9-6-5(3)7-10-8-6/h1-2H3
InChIKeyPSWYFPYJHOLLDK-UHFFFAOYSA-N
MW170.26 g/mol
LogP2.37
Rot. Bonds

About 5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole

5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole (PubChem CID 148966277) has the molecular formula C6H6N2S2 and a molecular weight of 170.26 g/mol. Its IUPAC name is 5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole.

Molecular Properties

Compound Name5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole
PubChem CID148966277
Molecular FormulaC6H6N2S2
Molecular Weight170.26 g/mol
Exact Mass170.00
IUPAC Name5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole
SMILESCc1sc2nsnc2c1C
InChIInChI=1S/C6H6N2S2/c1-3-4(2)9-6-5(3)7-10-8-6/h1-2H3
InChIKeyPSWYFPYJHOLLDK-UHFFFAOYSA-N
XLogP2.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole?
The IUPAC name of 5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole (CID 148966277) is 5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole.
What is the SMILES notation for 5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole?
The canonical SMILES for 5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole is Cc1sc2nsnc2c1C.
What is the InChIKey of 5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole?
The InChIKey is PSWYFPYJHOLLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S2/c1-3-4(2)9-6-5(3)7-10-8-6/h1-2H3.
What are the key properties of 5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole?
5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole has a molecular weight of 170.26 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylthieno[2,3-c][1,2,5]thiadiazole is sourced from PubChem (CID 148966277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).