Home Nitros 4H-Thiopyran-4-one,tetrahydro-3,5-bis[(4-nitrophenyl)methylene]-1,1-dioxide

4H-Thiopyran-4-one,tetrahydro-3,5-bis[(4-nitrophenyl)methylene]-1,1-dioxide

CAS No.:
108477-18-5
Catalog Number:
AG00924H
Molecular Formula:
C19H14N2O7S
Molecular Weight:
414.3887
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$166
- +
10mg
≥98%
1 week
United States
$254
- +
25mg
≥98%
1 week
United States
$468
- +
50mg
90%
1 week
United States
$823
- +
100mg
90%
1 week
United States
$1423
- +
Product Description
Catalog Number:
AG00924H
Chemical Name:
4H-Thiopyran-4-one,tetrahydro-3,5-bis[(4-nitrophenyl)methylene]-1,1-dioxide
CAS Number:
108477-18-5
Molecular Formula:
C19H14N2O7S
Molecular Weight:
414.3887
MDL Number:
MFCD28138111
IUPAC Name:
(3Z,5Z)-3,5-bis[(4-nitrophenyl)methylidene]-1,1-dioxothian-4-one
InChI:
InChI=1S/C19H14N2O7S/c22-19-15(9-13-1-5-17(6-2-13)20(23)24)11-29(27,28)12-16(19)10-14-3-7-18(8-4-14)21(25)26/h1-10H,11-12H2/b15-9+,16-10+
InChI Key:
SSAMIOWVUGBIJK-KAVGSWPWSA-N
SMILES:
O=C1/C(=C/c2ccc(cc2)[N+](=O)[O-])/CS(=O)(=O)C/C/1=C\c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
767  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
414.052g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.388g/mol
Monoisotopic Mass:
414.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties