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2929-81-9 | 4-(DIMETHYLAMINO)BENZALDEHYDE THIOSEMICARBAZONE
CAS No: 2929-81-9 Catalog No: AG00BD65 MDL No:MFCD00276108
Product Description
Catalog Number:
AG00BD65
Chemical Name:
4-(DIMETHYLAMINO)BENZALDEHYDE THIOSEMICARBAZONE
CAS Number:
2929-81-9
Molecular Formula:
C10H14N4S
Molecular Weight:
222.3100
MDL Number:
MFCD00276108
IUPAC Name:
[(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea
InChI:
InChI=1S/C10H14N4S/c1-14(2)9-5-3-8(4-6-9)7-12-13-10(11)15/h3-7H,1-2H3,(H3,11,13,15)/b12-7+
InChI Key:
MUDHKEQEBJQRRG-KPKJPENVSA-N
SMILES:
CN(c1ccc(cc1)/C=N/NC(=S)N)C
NSC Number:
3266
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
222.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.31g/mol
Monoisotopic Mass:
222.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Broad-spectrum antiviral activity including human immunodeficiency and hepatitis C viruses mediated by a novel retinoid thiosemicarbazone derivative. | European journal of medicinal chemistry 20110501 |
| Synthesis and antimalarial activity of semicarbazone and thiosemicarbazone derivatives. | European journal of medicinal chemistry 20080901 |
| 3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors. | Bioorganic & medicinal chemistry 20070301 |
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