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1170-16-7 | Diazenecarbothioic acid, 2-(1-naphthalenyl)-, 2-(1-naphthalenyl)hydrazide
CAS No: 1170-16-7 Catalog No: AG000DJ4 MDL No:
Product Description
Catalog Number:
AG000DJ4
Chemical Name:
Diazenecarbothioic acid, 2-(1-naphthalenyl)-, 2-(1-naphthalenyl)hydrazide
CAS Number:
1170-16-7
Molecular Formula:
C21H16N4S
Molecular Weight:
356.4435
IUPAC Name:
1-(naphthalen-1-ylamino)-3-naphthalen-1-yliminothiourea
InChI:
InChI=1S/C21H16N4S/c26-21(24-22-19-13-5-9-15-7-1-3-11-17(15)19)25-23-20-14-6-10-16-8-2-4-12-18(16)20/h1-14,22H,(H,24,26)
InChI Key:
IDGHLUJOYVSROS-UHFFFAOYSA-N
SMILES:
S=C(N=Nc1cccc2c1cccc2)NNc1cccc2c1cccc2
NSC Number:
57651
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.11g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.447g/mol
Monoisotopic Mass:
356.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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