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28492-94-6 | Hydrazinecarbothioamide, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-N-phenyl-
CAS No: 28492-94-6 Catalog No: AG002VIN MDL No:MFCD00129215
Product Description
Catalog Number:
AG002VIN
Chemical Name:
Hydrazinecarbothioamide, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-N-phenyl-
CAS Number:
28492-94-6
Molecular Formula:
C15H12N4OS
Molecular Weight:
296.3470
MDL Number:
MFCD00129215
IUPAC Name:
1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea
InChI:
InChI=1S/C15H12N4OS/c20-14-13(11-8-4-5-9-12(11)17-14)18-19-15(21)16-10-6-2-1-3-7-10/h1-9,17,20H,(H,16,21)
InChI Key:
MUJZVYLTQRFKQA-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1)NN=C1C(=O)Nc2c1cccc2
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.348g/mol
Monoisotopic Mass:
296.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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