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Home > Nitro Compounds > 15154-25-3
15154-25-3 | Hydrazinecarbothioamide, 2-[1-[5-methyl-3-(5-nitro-2-furanyl)-4-isoxazolyl]ethylidene]-
CAS No: 15154-25-3 Catalog No: AG001NFA MDL No:
Product Description
Catalog Number:
AG001NFA
Chemical Name:
Hydrazinecarbothioamide, 2-[1-[5-methyl-3-(5-nitro-2-furanyl)-4-isoxazolyl]ethylidene]-
CAS Number:
15154-25-3
Molecular Formula:
C11H11N5O4S
Molecular Weight:
309.3011
IUPAC Name:
[1-[5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazol-4-yl]ethylideneamino]thiourea
InChI:
InChI=1S/C11H11N5O4S/c1-5(13-14-11(12)21)9-6(2)20-15-10(9)7-3-4-8(19-7)16(17)18/h3-4H,1-2H3,(H3,12,14,21)
InChI Key:
MEBZPTVCYFEIFD-UHFFFAOYSA-N
SMILES:
NC(=S)NN=C(c1c(C)onc1c1ccc(o1)[N+](=O)[O-])C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.053g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.3g/mol
Monoisotopic Mass:
309.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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