5,6-dibromo-3-methylthieno[3,2-b]thiophene

C7H4Br2S2 — CID 176591761

IUPAC5,6-dibromo-3-methylthieno[3,2-b]thiophene
SMILESCc1csc2c(Br)c(Br)sc12
InChIInChI=1S/C7H4Br2S2/c1-3-2-10-6-4(8)7(9)11-5(3)6/h2H,1H3
InChIKeyXWPVJFULUGZTJN-UHFFFAOYSA-N
MW312.05 g/mol
LogP4.80
Rot. Bonds

About 5,6-dibromo-3-methylthieno[3,2-b]thiophene

5,6-dibromo-3-methylthieno[3,2-b]thiophene (PubChem CID 176591761) has the molecular formula C7H4Br2S2 and a molecular weight of 312.05 g/mol. Its IUPAC name is 5,6-dibromo-3-methylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name5,6-dibromo-3-methylthieno[3,2-b]thiophene
PubChem CID176591761
Molecular FormulaC7H4Br2S2
Molecular Weight312.05 g/mol
Exact Mass309.81
IUPAC Name5,6-dibromo-3-methylthieno[3,2-b]thiophene
SMILESCc1csc2c(Br)c(Br)sc12
InChIInChI=1S/C7H4Br2S2/c1-3-2-10-6-4(8)7(9)11-5(3)6/h2H,1H3
InChIKeyXWPVJFULUGZTJN-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-dibromo-3-methylthieno[3,2-b]thiophene 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 5,6-dibromo-3-methylthieno[3,2-b]thiophene?
The IUPAC name of 5,6-dibromo-3-methylthieno[3,2-b]thiophene (CID 176591761) is 5,6-dibromo-3-methylthieno[3,2-b]thiophene.
What is the SMILES notation for 5,6-dibromo-3-methylthieno[3,2-b]thiophene?
The canonical SMILES for 5,6-dibromo-3-methylthieno[3,2-b]thiophene is Cc1csc2c(Br)c(Br)sc12.
What is the InChIKey of 5,6-dibromo-3-methylthieno[3,2-b]thiophene?
The InChIKey is XWPVJFULUGZTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2S2/c1-3-2-10-6-4(8)7(9)11-5(3)6/h2H,1H3.
What are the key properties of 5,6-dibromo-3-methylthieno[3,2-b]thiophene?
5,6-dibromo-3-methylthieno[3,2-b]thiophene has a molecular weight of 312.05 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-3-methylthieno[3,2-b]thiophene is sourced from PubChem (CID 176591761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).