2-Bromo-3-(2-ethylhexyl)thiophene

• CAS: 303734-52-3
• Catalog Number: ACM303734523
• Category: Organic & Printed Electronics
• Molecular Weight: 275.25g/mol
• Molecular Formula: C12H19BrS
• Synonyms: 2-broMo-3-(2-ethylhexyl)thiophene
• IUPAC Name: 2-bromo-3-(2-ethylhexyl)thiophene
• Canonical SMILES: BrC1=C(CC(CC)CCCC)C=CS1
• InChI: 1S/C12H19BrS/c1-3-5-6-10(4-2)9-11-7-8-14-12(11)13/h7-8,10H,3-6,9H2,1-2H3
• InChI Key: VWIAAXXJIUXUEC-UHFFFAOYSA-N
• Application: Organic semiconducting polymer or small molecule precursor.
• Storage: room temp
• Assay: 97% (GC)
• Complexity: 149
• Covalently-Bonded Unit Count: 1
• Exact Mass: 274.03908g/mol
• Form: liquid
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 14
• MDL Number: MFCD26743667
• Monoisotopic Mass: 274.03908g/mol
• Packaging: 1 g in glass bottle
• Quality Level: 100
• Rotatable Bond Count: 6
• XLogP3: 6.4

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C12H19BrS.

What are the synonyms for the compound?

The synonyms for the compound are 2-Bromo-3-(2-ethylhexyl)thiophene, 303734-52-3, Thiophene, 2-bromo-3-(2-ethylhexyl)-, MFCD26743667, SCHEMBL1873771.

What is the molecular weight of the compound?

The molecular weight of the compound is 275.25 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-bromo-3-(2-ethylhexyl)thiophene.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C12H19BrS/c1-3-5-6-10(4-2)9-11-7-8-14-12(11)13/h7-8,10H,3-6,9H2,1-2H3.

What is the InChIKey of the compound?

The InChIKey of the compound is VWIAAXXJIUXUEC-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCCCC(CC)CC1=C(SC=C1)Br.

What is the CAS number of the compound?

The CAS number of the compound is 303734-52-3.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 6.4.

Is the compound canonicalized?

Yes, the compound is canonicalized.