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Home > Indoles and Oxindole > 125471-32-1
125471-32-1 | Hydrazinecarbothioamide, 2-[(2-phenyl-1H-indol-3-yl)methylene]-
CAS No: 125471-32-1 Catalog No: AG000NPR MDL No:
Product Description
Catalog Number:
AG000NPR
Chemical Name:
Hydrazinecarbothioamide, 2-[(2-phenyl-1H-indol-3-yl)methylene]-
CAS Number:
125471-32-1
Molecular Formula:
C16H14N4S
Molecular Weight:
294.3742
IUPAC Name:
[(2-phenyl-1H-indol-3-yl)methylideneamino]thiourea
InChI:
InChI=1S/C16H14N4S/c17-16(21)20-18-10-13-12-8-4-5-9-14(12)19-15(13)11-6-2-1-3-7-11/h1-10,19H,(H3,17,20,21)
InChI Key:
OSWGAKQYXBIYRJ-UHFFFAOYSA-N
SMILES:
NC(=S)NN=Cc1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
294.376g/mol
Monoisotopic Mass:
294.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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