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70541-69-4 | Hydrazinecarbothioamide, 2-(3-oxo-3H-indol-2-yl)-N-phenyl-
CAS No: 70541-69-4 Catalog No: AG005U6R MDL No:
Product Description
Catalog Number:
AG005U6R
Chemical Name:
Hydrazinecarbothioamide, 2-(3-oxo-3H-indol-2-yl)-N-phenyl-
CAS Number:
70541-69-4
Molecular Formula:
C15H12N4OS
Molecular Weight:
296.3470
IUPAC Name:
(1E)-1-[(3-hydroxy-1H-indol-2-yl)imino]-3-phenylthiourea
InChI:
InChI=1S/C15H12N4OS/c20-13-11-8-4-5-9-12(11)17-14(13)18-19-15(21)16-10-6-2-1-3-7-10/h1-9,17,20H,(H,16,21)/b19-18+
InChI Key:
KUXGDDQHFXOXLZ-VHEBQXMUSA-N
SMILES:
S=C(Nc1ccccc1)NNC1=Nc2c(C1=O)cccc2
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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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