Home Halogens 3,5-dibromo-1lambda6-thiane-1,1,4-trione

3,5-dibromo-1lambda6-thiane-1,1,4-trione

CAS No.:
408314-20-5
Catalog Number:
AG01BAAS
Molecular Formula:
C5H6Br2O3S
Molecular Weight:
305.9723
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BAAS
Chemical Name:
3,5-dibromo-1lambda6-thiane-1,1,4-trione
CAS Number:
408314-20-5
Molecular Formula:
C5H6Br2O3S
Molecular Weight:
305.9723
MDL Number:
MFCD01114754
IUPAC Name:
3,5-dibromo-1,1-dioxothian-4-one
InChI:
InChI=1S/C5H6Br2O3S/c6-3-1-11(9,10)2-4(7)5(3)8/h3-4H,1-2H2
InChI Key:
JUWPEGPRQKQUNF-UHFFFAOYSA-N
SMILES:
O=C1C(Br)CS(=O)(=O)CC1Br
NSC Number:
135444
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.838g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.968g/mol
Monoisotopic Mass:
303.84g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties