5-Bromo-2-thiopheneglyoxal hydrate

• CAS: 852619-28-4
• Catalog Number: ACM852619284
• Category: Bromine Series
• Molecular Weight: 237.07
• Molecular Formula: C₆H₅BrO₃S
• Synonyms: 5-BROMO-2-THIOPHENEGLYOXAL HYDRATE;5-BROMO-2-THIOPHENEGLYOXAL HYDRATE, 95+%
• IUPAC Name: 1-(5-bromothiophen-2-yl)-2,2-dihydroxyethanone
• Canonical SMILES: C1=C(SC(=C1)Br)C(=O)C(O)O
• InChI Key: HURJBJVXFHMXNU-UHFFFAOYSA-N
• Boiling Point: 364.2ºC at 760 mmHg
• Flash Point: 174.1ºC
• Density: 1.942g/cm³
• Exact Mass: 235.91400
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 5-Bromo-2-thiopheneglyoxal hydrate?

The molecular formula is C6H5BrO3S.

What is the molecular weight of 5-Bromo-2-thiopheneglyoxal hydrate?

The molecular weight is 237.07 g/mol.

When was 5-Bromo-2-thiopheneglyoxal hydrate first created?

It was created on May 23, 2011.

What is the IUPAC name of 5-Bromo-2-thiopheneglyoxal hydrate?

The IUPAC name is 1-(5-bromothiophen-2-yl)-2,2-dihydroxyethanone.

What is the InChI of 5-Bromo-2-thiopheneglyoxal hydrate?

The InChI is InChI=1S/C6H5BrO3S/c7-4-2-1-3(11-4)5(8)6(9)10/h1-2,6,9-10H.

What is the InChIKey of 5-Bromo-2-thiopheneglyoxal hydrate?

The InChIKey is HURJBJVXFHMXNU-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromo-2-thiopheneglyoxal hydrate?

The canonical SMILES is C1=C(SC(=C1)Br)C(=O)C(O)O.

What is the CAS number of 5-Bromo-2-thiopheneglyoxal hydrate?

The CAS number is 852619-28-4.

What is the XLogP3-AA value of 5-Bromo-2-thiopheneglyoxal hydrate?

The XLogP3-AA value is 1.4.

Is 5-Bromo-2-thiopheneglyoxal hydrate a canonicalized compound?

Yes, it is a canonicalized compound.