4,7-bis(5-bromothiophen-2-yl)benzo[c][1,2,5]thiadiazole
Catalog Number
ACM288071874-2
CAS
288071-87-4
IUPAC Name
4,7-Bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole
Synonyms
4,7-Bis(2-bromo-5-thienyl)-2,1,3-benzothiadiazole
Molecular Weight
458.2
Molecular Formula
C14H6Br2N2S3
Product Information
Canonical SMILES
C1=C(C2=NSN=C2C(=C1)C3=CC=C(S3)Br)C4=CC=C(S4)Br
InChI
InChI=1S/C14H6Br2N2S3/c15-11-5-3-9(19-11)7-1-2-8(10-4-6-12(16)20-10)14-13(7)17-21-18-14/h1-6H
InChI Key
ZIIMIGRZSUYQGW-UHFFFAOYSA-N
Boiling Point
527.3±45.0 °C/760mmHg (lit.)
Melting Point
245-249 °C
Flash Point
272.7±28.7 °C
Purity
95%+
Density
1.9±0.1 g/cm³
Appearance
Solid
Storage
Under inert gas (nitrogen or Argon) at 2-8 °C
Complexity
355
Covalently-Bonded Unit Count
1
Exact Mass
457.80394
Heavy Atom Count
21
Monoisotopic Mass
455.80599
Refractive Index
n20/D 1.767 (lit.)
Rotatable Bond Count
2
Topological Polar Surface Area
111 Ų
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