Free Chemical Databases
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[Synonyms]
NSC32717
[Structure]
[ Properties Computed from Structure]
Molecular Weight 236.28864 [g/mol] Molecular Formula C8H16N2O4S XLogP 0.5 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 8 Tautomer Count 3 Exact Mass 236.083078 MonoIsotopic Mass 236.083078 Topological Polar Surface Area 76.7 Heavy Atom Count 15 Formal Charge 0 Complexity 181 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-[2-(methylcarbamoyloxy)ethylsulfanyl]ethyl N-methylcarbamate
Canonical SMILES: CNC(=O)OCCSCCOC(=O)NC
InChI: InChI=1/C8H16N2O4S/c1-9-7(11)13-3-5-15-6-4-14-8(12)10-2/h3-6H2,1-2H3,(H,
9,11)(H,10,12)/f/h9-10H
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