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Home > Nitro Compounds > 35274-35-2
35274-35-2 | 4-Thiazolidinone, 5-[[5-(3-nitrophenyl)-2-furanyl]methylene]-2-thioxo-
CAS No: 35274-35-2 Catalog No: AG00JOUO MDL No:
Product Description
Catalog Number:
AG00JOUO
Chemical Name:
4-Thiazolidinone, 5-[[5-(3-nitrophenyl)-2-furanyl]methylene]-2-thioxo-
CAS Number:
35274-35-2
Molecular Formula:
C14H8N2O4S2
Molecular Weight:
332.3543
IUPAC Name:
(5E)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H8N2O4S2/c17-13-12(22-14(21)15-13)7-10-4-5-11(20-10)8-2-1-3-9(6-8)16(18)19/h1-7H,(H,15,17,21)/b12-7+
InChI Key:
AQEZUPQHAAIZRW-KPKJPENVSA-N
SMILES:
S=C1S/C(=C/c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/C(=O)N1
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
331.993g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.348g/mol
Monoisotopic Mass:
331.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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