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88477-62-7 | Thiourea, N-methyl-N'-[4-[(4-nitrophenyl)amino]phenyl]-
CAS No: 88477-62-7 Catalog No: AG004AFM MDL No:
Product Description
Catalog Number:
AG004AFM
Chemical Name:
Thiourea, N-methyl-N'-[4-[(4-nitrophenyl)amino]phenyl]-
CAS Number:
88477-62-7
Molecular Formula:
C14H14N4O2S
Molecular Weight:
302.3516
IUPAC Name:
1-methyl-3-[4-(4-nitroanilino)phenyl]thiourea
InChI:
InChI=1S/C14H14N4O2S/c1-15-14(21)17-12-4-2-10(3-5-12)16-11-6-8-13(9-7-11)18(19)20/h2-9,16H,1H3,(H2,15,17,21)
InChI Key:
VCBBCYDZUAHSKP-UHFFFAOYSA-N
SMILES:
CNC(=S)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
302.352g/mol
Monoisotopic Mass:
302.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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