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Home > Nitro Compounds > 82220-83-5
82220-83-5 | 4-nitro-N-(4-oxo-2-sulfanylidene-thiazolidin-3-yl)benzamide
CAS No: 82220-83-5 Catalog No: AG0050D6 MDL No:
Product Description
Catalog Number:
AG0050D6
Chemical Name:
4-nitro-N-(4-oxo-2-sulfanylidene-thiazolidin-3-yl)benzamide
CAS Number:
82220-83-5
Molecular Formula:
C10H7N3O4S2
Molecular Weight:
297.3103
IUPAC Name:
4-nitro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
InChI:
InChI=1S/C10H7N3O4S2/c14-8-5-19-10(18)12(8)11-9(15)6-1-3-7(4-2-6)13(16)17/h1-4H,5H2,(H,11,15)
InChI Key:
CKKVXGBSNSXNQT-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1NC(=O)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
9078
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.988g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.303g/mol
Monoisotopic Mass:
296.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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