2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide

C7H8OS2 — CID 58280908

IUPAC2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide
SMILESCc1cc2c(s1)CS(=O)C2
InChIInChI=1S/C7H8OS2/c1-5-2-6-3-10(8)4-7(6)9-5/h2H,3-4H2,1H3
InChIKeyFZLCABHKGLDPJD-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds

About 2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide

2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide (PubChem CID 58280908) has the molecular formula C7H8OS2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide.

Molecular Properties

Compound Name2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide
PubChem CID58280908
Molecular FormulaC7H8OS2
Molecular Weight172.27 g/mol
Exact Mass172.00
IUPAC Name2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide
SMILESCc1cc2c(s1)CS(=O)C2
InChIInChI=1S/C7H8OS2/c1-5-2-6-3-10(8)4-7(6)9-5/h2H,3-4H2,1H3
InChIKeyFZLCABHKGLDPJD-UHFFFAOYSA-N
XLogP1.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide?
The IUPAC name of 2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide (CID 58280908) is 2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide.
What is the SMILES notation for 2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide?
The canonical SMILES for 2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide is Cc1cc2c(s1)CS(=O)C2.
What is the InChIKey of 2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide?
The InChIKey is FZLCABHKGLDPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS2/c1-5-2-6-3-10(8)4-7(6)9-5/h2H,3-4H2,1H3.
What are the key properties of 2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide?
2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide has a molecular weight of 172.27 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide is sourced from PubChem (CID 58280908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).