Home Halogens 2,6-Dibromo-4-octyl-4H-dithieno[3,2-b:2',3'-d]pyrrole

2,6-Dibromo-4-octyl-4H-dithieno[3,2-b:2',3'-d]pyrrole

CAS No.:
1346688-54-7
Catalog Number:
AG009GMQ
Molecular Formula:
C16H19Br2NS2
Molecular Weight:
449.2668
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
200mg
>94.0%(GC)
1 week
United States
$384
- +
Product Description
Catalog Number:
AG009GMQ
Chemical Name:
2,6-Dibromo-4-octyl-4H-dithieno[3,2-b:2',3'-d]pyrrole
CAS Number:
1346688-54-7
Molecular Formula:
C16H19Br2NS2
Molecular Weight:
449.2668
MDL Number:
MFCD27923053
IUPAC Name:
4,10-dibromo-7-octyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
InChI:
InChI=1S/C16H19Br2NS2/c1-2-3-4-5-6-7-8-19-11-9-13(17)20-15(11)16-12(19)10-14(18)21-16/h9-10H,2-8H2,1H3
InChI Key:
IJEKMGUFKKPWLT-UHFFFAOYSA-N
SMILES:
CCCCCCCCn1c2cc(sc2c2c1cc(s2)Br)Br
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.931g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
449.263g/mol
Monoisotopic Mass:
446.933g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3  
Properties