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Home > Nitro Compounds > 6219-50-7
6219-50-7 | 1-(4-NITRO-PHENYL)-THIOSEMICARBAZIDE
CAS No: 6219-50-7 Catalog No: AG01BNHL MDL No:MFCD21884474
Product Description
Catalog Number:
AG01BNHL
Chemical Name:
1-(4-NITRO-PHENYL)-THIOSEMICARBAZIDE
CAS Number:
6219-50-7
Molecular Formula:
C7H8N4O2S
Molecular Weight:
212.2290
MDL Number:
MFCD21884474
IUPAC Name:
(4-nitroanilino)thiourea
InChI:
InChI=1S/C7H8N4O2S/c8-7(14)10-9-5-1-3-6(4-2-5)11(12)13/h1-4,9H,(H3,8,10,14)
InChI Key:
JJRWANIPJUWNPW-UHFFFAOYSA-N
SMILES:
NC(=S)NNc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.037g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.227g/mol
Monoisotopic Mass:
212.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Spectroscopic, thermal and biological studies on some trivalent ruthenium and rhodium NS chelating thiosemicarbazone complexes. | Bioinorganic chemistry and applications 20070101 |
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