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144076-45-9 | Hydrazinecarbothioamide, N-(4-acetylphenyl)-2-(phenylmethylene)-
CAS No: 144076-45-9 Catalog No: AG001IUW MDL No:
Product Description
Catalog Number:
AG001IUW
Chemical Name:
Hydrazinecarbothioamide, N-(4-acetylphenyl)-2-(phenylmethylene)-
CAS Number:
144076-45-9
Molecular Formula:
C16H15N3OS
Molecular Weight:
297.3748
IUPAC Name:
1-(4-acetylphenyl)-3-(benzylideneamino)thiourea
InChI:
InChI=1S/C16H15N3OS/c1-12(20)14-7-9-15(10-8-14)18-16(21)19-17-11-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,19,21)
InChI Key:
BNYRHSPJLKOTCP-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)C(=O)C)NN=Cc1ccccc1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.376g/mol
Monoisotopic Mass:
297.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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