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6956-35-0 | Carbonothioicdihydrazide, bis(2-cyano-2-phenylethylidene)- (9CI)
CAS No: 6956-35-0 Catalog No: AG005KSM MDL No:
Product Description
Catalog Number:
AG005KSM
Chemical Name:
Carbonothioicdihydrazide, bis(2-cyano-2-phenylethylidene)- (9CI)
CAS Number:
6956-35-0
Molecular Formula:
C19H16N6S
Molecular Weight:
360.4355
IUPAC Name:
1,3-bis[(2-cyano-2-phenylethylidene)amino]thiourea
InChI:
InChI=1S/C19H16N6S/c20-11-17(15-7-3-1-4-8-15)13-22-24-19(26)25-23-14-18(12-21)16-9-5-2-6-10-16/h1-10,13-14,17-18H,(H2,24,25,26)
InChI Key:
UWZJEMIGAXVKBG-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)C=NNC(=S)NN=CC(c1ccccc1)C#N
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.116g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.439g/mol
Monoisotopic Mass:
360.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
2
XLogP3:
3.1
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