Benzo[b]thiophene-3-carboxaldehyde
Catalog Number
ACM5381204-1
CAS
5381-20-4
IUPAC Name
1-benzothiophene-3-carbaldehyde
Synonyms
3-Formylbenzo[b]thiophene
Molecular Weight
162.21
Molecular Formula
C9H6OS
Product Information
Canonical SMILES
C1=CC=C2C(=C1)C(=CS2)C=O
InChI
InChI=1S/C9H6OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-6H
InChI Key
WDJLPQCBTBZTRH-UHFFFAOYSA-N
Boiling Point
133 °C/4 mmHg
Melting Point
58 °C
Purity
>98.0%(GC)
Density
Air Sensitive
Appearance
White to Orange to Green powder to crystal
Storage
Store under inert gas
Complexity
158
Exact Mass
162.013936g/mol
Heavy Atom Count
11
MDL Number
MFCD00052376
Monoisotopic Mass
162.013936g/mol
Reaxys Registry Number
114116
Rotatable Bond Count
1
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