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Home > Nitro Compounds > 89335-10-4
89335-10-4 | Thiourea, [5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-
CAS No: 89335-10-4 Catalog No: AG003ZGL MDL No:
Product Description
Catalog Number:
AG003ZGL
Chemical Name:
Thiourea, [5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-
CAS Number:
89335-10-4
Molecular Formula:
C9H7N5O2S2
Molecular Weight:
281.3142
IUPAC Name:
[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]thiourea
InChI:
InChI=1S/C9H7N5O2S2/c10-8(17)11-9-13-12-7(18-9)5-1-3-6(4-2-5)14(15)16/h1-4H,(H3,10,11,13,17)
InChI Key:
QRTPUUJWUIQWGY-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1nnc(s1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.004g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.308g/mol
Monoisotopic Mass:
281.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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