2,1,3-Benzothiadiazole
Catalog Number
ACM273132
CAS
273-13-2
IUPAC Name
2,1,3-benzothiadiazole
Synonyms
Piazthiole
Molecular Weight
136.16999999999999
Molecular Formula
C6H4N2S
Product Information
Canonical SMILES
C1=CC2=NSN=C2C=C1
InChI
InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
InChI Key
PDQRQJVPEFGVRK-UHFFFAOYSA-N
Boiling Point
64 °C/1.5 mmHg
Melting Point
44 °C
Purity
>99.0%(GC)
Density
Air Sensitive
Appearance
White to Light yellow powder to crystal
Storage
Store under inert gas
Complexity
95.2
Exact Mass
136.009519g/mol
Heavy Atom Count
9
MDL Number
MFCD00005809
Monoisotopic Mass
136.009519g/mol
Reaxys Registry Number
112408
Rotatable Bond Count
0
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