Free Chemical Databases
-
[Synonyms]
NSC980
1-AMINO-2,4-THIOCYANATONAPHTHYLENE
91353-98-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 257.33408 [g/mol] Molecular Formula C12H7N3S2 XLogP 2.4 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 2 Exact Mass 257.008139 MonoIsotopic Mass 257.008139 Topological Polar Surface Area 73.6 Heavy Atom Count 17 Formal Charge 0 Complexity 366 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2,4-dithiocyanatonaphthalen-1-amine
Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=C2N)SC#N)SC#N
InChI: InChI=1/C12H7N3S2/c13-6-16-10-5-11(17-7-14)12(15)9-4-2-1-3-8(9)10/h1-5H,
15H2
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