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Home > Nitro Compounds > 79925-03-4
79925-03-4 | Hydrazinecarbothioamide,N-(3-nitrophenyl)-
CAS No: 79925-03-4 Catalog No: AG0054WG MDL No:MFCD00060573
Product Description
Catalog Number:
AG0054WG
Chemical Name:
Hydrazinecarbothioamide,N-(3-nitrophenyl)-
CAS Number:
79925-03-4
Molecular Formula:
C7H8N4O2S
Molecular Weight:
212.2290
MDL Number:
MFCD00060573
IUPAC Name:
1-amino-3-(3-nitrophenyl)thiourea
InChI:
InChI=1S/C7H8N4O2S/c8-10-7(14)9-5-2-1-3-6(4-5)11(12)13/h1-4H,8H2,(H2,9,10,14)
InChI Key:
XGLWDVPGYUSGCU-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
230
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:
1
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| 4-(3-Nitro-phen-yl)-1-(2-oxoindolin-3-yl-idene)thio-semicarbazide. | Acta crystallographica. Section E, Structure reports online 20100601 |
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