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Home > Imidazoles > 6823-91-2
6823-91-2 | Hydrazinecarbothioamide, 2-(1H-imidazol-4-ylmethylene)-
CAS No: 6823-91-2 Catalog No: AG006D1X MDL No:
Product Description
Catalog Number:
AG006D1X
Chemical Name:
Hydrazinecarbothioamide, 2-(1H-imidazol-4-ylmethylene)-
CAS Number:
6823-91-2
Molecular Formula:
C5H7N5S
Molecular Weight:
169.2076
IUPAC Name:
[(E)-1H-imidazol-5-ylmethylideneamino]thiourea
InChI:
InChI=1S/C5H7N5S/c6-5(11)10-9-2-4-1-7-3-8-4/h1-3H,(H,7,8)(H3,6,10,11)/b9-2+
InChI Key:
YJLYYXQJGMPDJZ-XNWCZRBMSA-N
SMILES:
NC(=S)NN=Cc1c[nH]cn1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
169.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
169.206g/mol
Monoisotopic Mass:
169.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Structural studies and investigation on the activity of imidazole-derived thiosemicarbazones and hydrazones against crop-related fungi. | Molecules (Basel, Switzerland) 20131014 |
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