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Home > Nitro Compounds > 3696-22-8
3696-22-8 | 1-(4-Nitrophenyl)thiourea
CAS No: 3696-22-8 Catalog No: AG003D0R MDL No:MFCD00007304
Product Description
Catalog Number:
AG003D0R
Chemical Name:
1-(4-Nitrophenyl)thiourea
CAS Number:
3696-22-8
Molecular Formula:
C7H7N3O2S
Molecular Weight:
197.2144
MDL Number:
MFCD00007304
IUPAC Name:
(4-nitrophenyl)thiourea
InChI:
InChI=1S/C7H7N3O2S/c8-7(13)9-5-1-3-6(4-2-5)10(11)12/h1-4H,(H3,8,9,13)
InChI Key:
BLYAANPIHFKKMQ-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(cc1)[N+](=O)[O-]
EC Number:
223-021-9
NSC Number:
61006
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.212g/mol
Monoisotopic Mass:
197.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Discovery of novel thiourea derivatives as potent and selective beta3-adrenergic receptor agonists. | Bioorganic & medicinal chemistry 20090801 |
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