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Home > Nitro Compounds > 335393-52-7
335393-52-7 | 3-(2-methoxy-4-nitrophenyl)-1-(4-methylbenzoyl)thiourea
CAS No: 335393-52-7 Catalog No: AG00J05T MDL No:MFCD02625365
Product Description
Catalog Number:
AG00J05T
Chemical Name:
3-(2-methoxy-4-nitrophenyl)-1-(4-methylbenzoyl)thiourea
CAS Number:
335393-52-7
Molecular Formula:
C16H15N3O4S
Molecular Weight:
345.3730
MDL Number:
MFCD02625365
IUPAC Name:
N-[(2-methoxy-4-nitrophenyl)carbamothioyl]-4-methylbenzamide
InChI:
InChI=1S/C16H15N3O4S/c1-10-3-5-11(6-4-10)15(20)18-16(24)17-13-8-7-12(19(21)22)9-14(13)23-2/h3-9H,1-2H3,(H2,17,18,20,24)
InChI Key:
WFSQRQRJAWHLGT-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)C)[N+](=O)[O-]
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.078g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.373g/mol
Monoisotopic Mass:
345.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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