Home Nitro Compounds 329778-09-8
329778-09-8,MFCD02091032
Catalog No.:AA00IZLI
329778-09-8 | N'-[(1E)-[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylidene]-3-methylfuran-2-carbohydrazide
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1mg
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5mg
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10mg
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$185.00
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20mg
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500mg
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Technical Information
Catalog Number:
AA00IZLI
Chemical Name:
N'-[(1E)-[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylidene]-3-methylfuran-2-carbohydrazide
CAS Number:
329778-09-8
Molecular Formula:
C19H21N3O4S
Molecular Weight:
387.4527
MDL Number:
MFCD02091032
IUPAC Name:
N-[(4-cyclohexylsulfanyl-3-nitrophenyl)methylideneamino]-3-methylfuran-2-carboxamide
InChI:
InChI=1S/C19H21N3O4S/c1-13-9-10-26-18(13)19(23)21-20-12-14-7-8-17(16(11-14)22(24)25)27-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,21,23)
InChI Key:
ZYZKWEJUYHOQJY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(/C=N/NC(=O)c2occc2C)ccc1SC1CCCCC1
Properties
Computed Properties
 
Complexity:
548  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.125g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
387.454g/mol
Monoisotopic Mass:
387.125g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.7  

Synonyms
 
329778-09-8 
N'-{[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylene}-3-methyl-2-furohydrazide 
AC1LOSOY 
N'-[(1E)-[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylidene]-3-methylfuran-2-carbohydrazide 
KS-000026XR 
AKOS030253293 
MCULE-1211073814 
N-[(4-cyclohexylsulfanyl-3-nitrophenyl)methylideneamino]-3-methylfuran-2-carboxamide 
ZINC01083185 
CID1269486 
Literature
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