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27766-21-8 | Carbonothioic dihydrazide, 2,2'-di-2(1H)-naphthalenylidene-
CAS No: 27766-21-8 Catalog No: AG002UPH MDL No:
Product Description
Catalog Number:
AG002UPH
Chemical Name:
Carbonothioic dihydrazide, 2,2'-di-2(1H)-naphthalenylidene-
CAS Number:
27766-21-8
Molecular Formula:
C21H18N4S
Molecular Weight:
358.4594
IUPAC Name:
1,3-bis(1H-naphthalen-2-ylideneamino)thiourea
InChI:
InChI=1S/C21H18N4S/c26-21(24-22-19-11-9-15-5-1-3-7-17(15)13-19)25-23-20-12-10-16-6-2-4-8-18(16)14-20/h1-12H,13-14H2,(H2,24,25,26)
InChI Key:
NVRNVDLEMWZIJG-UHFFFAOYSA-N
SMILES:
S=C(NN=C1C=Cc2c(C1)cccc2)NN=C1C=Cc2c(C1)cccc2
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.125g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.463g/mol
Monoisotopic Mass:
358.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.2
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