Free Chemical Databases
-
[Synonyms]
NSC34707
6278-47-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 228.294141 [g/mol] Molecular Formula C10H17N2PS XLogP 3.6 H-Bond Donor 2 H-Bond Acceptor 2 Rotatable Bond Count 5 Tautomer Count 2 Exact Mass 228.085006 MonoIsotopic Mass 228.085006 Topological Polar Surface Area 24.1 Heavy Atom Count 14 Formal Charge 0 Complexity 192 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: N-(ethylamino-phenylphosphinothioyl)ethanamine
Canonical SMILES: CCNP(=S)(C1=CC=CC=C1)NCC
InChI: InChI=1/C10H17N2PS/c1-3-11-13(14,12-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,
1-2H3,(H2,11,12,14)/f/h11-12H
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