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Home > Nitro Compounds > 851302-79-9
851302-79-9 | 4-Thiazolidinone, 5-[[5-(4-nitrophenyl)-2-furanyl]methylene]-2-thioxo-, (5E)-
CAS No: 851302-79-9 Catalog No: AG00JOKX MDL No:
Product Description
Catalog Number:
AG00JOKX
Chemical Name:
4-Thiazolidinone, 5-[[5-(4-nitrophenyl)-2-furanyl]methylene]-2-thioxo-, (5E)-
CAS Number:
851302-79-9
Molecular Formula:
C14H8N2O4S2
Molecular Weight:
332.3543
IUPAC Name:
(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H8N2O4S2/c17-13-12(22-14(21)15-13)7-10-5-6-11(20-10)8-1-3-9(4-2-8)16(18)19/h1-7H,(H,15,17,21)/b12-7+
InChI Key:
DNCIZVIDQRGWMB-KPKJPENVSA-N
SMILES:
S=C1NC(=O)/C(=C\c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/S1
Properties
Complexity:
523
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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