1,3-Bibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione

• CAS: 1231160-83-0
• Catalog Number: ACM1231160830
• Category: Organic & Printed Electronics
• Molecular Weight: 423.16328
• Molecular Formula: C₁₄H₁₇Br₂NO₂S
• Synonyms: 1,3-BibroMo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione;1,3-Dibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione;1,3-Dibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole- 4,6(5H)-dione 97%
• IUPAC Name: 1,3-dibromo-5-(2-ethylhexyl)thieno[3,4-c]pyrrole-4,6-dione
• Canonical SMILES: CCCCC(CC)CN1C(=O)C2=C(SC(=C2C1=O)Br)Br
• InChI Key: AOZLCBYWDXFKCJ-UHFFFAOYSA-N
• Exact Mass: 420.93500
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 1,3-Bibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione?

The molecular formula is C14H17Br2NO2S.

What is the molecular weight of 1,3-Bibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione?

The molecular weight is 423.2 g/mol.

What is the IUPAC name of 1,3-Bibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione?

The IUPAC name is 1,3-dibromo-5-(2-ethylhexyl)thieno[3,4-c]pyrrole-4,6-dione.

What is the InChI of 1,3-Bibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione?

The InChI is InChI=1S/C14H17Br2NO2S/c1-3-5-6-8(4-2)7-17-13(18)9-10(14(17)19)12(16)20-11(9)15/h8H,3-7H2,1-2H3.

What is the InChIKey of 1,3-Bibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione?

The InChIKey is AOZLCBYWDXFKCJ-UHFFFAOYSA-N.

What is the canonical SMILES of 1,3-Bibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione?

The canonical SMILES is CCCCC(CC)CN1C(=O)C2=C(SC(=C2C1=O)Br)Br.

What is the CAS number of 1,3-Bibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione?

The CAS number is 1231160-83-0.

What is the European Community (EC) number of 1,3-Bibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione?

The European Community (EC) number is 803-042-5.

What is the XLogP3-AA value of 1,3-Bibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione?

The XLogP3-AA value is 5.8.

Is 1,3-Bibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione a canonicalized compound?

Yes, it is a canonicalized compound.