2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole

C9H6N2OS2 — CID 2739829

IUPAC2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc3sccc3s2)o1
InChIInChI=1S/C9H6N2OS2/c1-5-10-11-9(12-5)8-4-7-6(14-8)2-3-13-7/h2-4H,1H3
InChIKeyRAVQKGLZVDUEQN-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.32
Rot. Bonds1

About 2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole

2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole (PubChem CID 2739829) has the molecular formula C9H6N2OS2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole
PubChem CID2739829
Molecular FormulaC9H6N2OS2
Molecular Weight222.29 g/mol
Exact Mass221.99
IUPAC Name2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc3sccc3s2)o1
InChIInChI=1S/C9H6N2OS2/c1-5-10-11-9(12-5)8-4-7-6(14-8)2-3-13-7/h2-4H,1H3
InChIKeyRAVQKGLZVDUEQN-UHFFFAOYSA-N
XLogP3.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole (CID 2739829) is 2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole is Cc1nnc(-c2cc3sccc3s2)o1.
What is the InChIKey of 2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole?
The InChIKey is RAVQKGLZVDUEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS2/c1-5-10-11-9(12-5)8-4-7-6(14-8)2-3-13-7/h2-4H,1H3.
What are the key properties of 2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole?
2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole has a molecular weight of 222.29 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole is sourced from PubChem (CID 2739829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).