4,6-Dibromodibenzothiophene

Catalog Number	ACM669773346-1
CAS	669773-34-6
Structure
Synonyms	4,6-Dibromodibenzo[b,d]thiophene; Dibenzothiophene, 4,6-dibromo-
IUPAC Name	4,6-dibromodibenzothiophene
Molecular Weight	342.05
Molecular Formula	C12H6Br2S
Canonical SMILES	C1=CC2=C(C(=C1)Br)SC3=C2C=CC=C3Br
InChI	ULGFJZPCGNTWFK-UHFFFAOYSA-N
InChI Key	InChI=1S/C12H6Br2S/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H
Boiling Point	436.5±25.0 °C(Predicted)
Melting Point	184-188 °C
Purity	98%
Density	1.905±0.06 g/cm3(Predicted)
Appearance	White powder
Complexity	222
Covalently-Bonded Unit Count	1
Exact Mass	341.85365g/mol
Formal Charge	0
Heavy Atom Count	15
Isomeric SMILES	C1=CC2=C(C(=C1)Br)SC3=C2C=CC=C3Br
Monoisotopic Mass	339.8557g/mol
Rotatable Bond Count	0