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4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine-2-thiol,Canonical SMILES

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摘 要: 4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine-2-thiol,Canonical SMILES: CC1CC(OC(=N1)S)C2=CC=CC=C2,InChI: InChI=1/C11H13NOS/c1-8-7-10(13-11(14)12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,,1H3,(H,12,14)/f/h14H,Molecular Weight207.29202 [g/mol]Molecular FormulaC
[Synonyms]

[Structure]
 4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine-2-thiol,Canonical SMILES

[ Properties Computed from Structure]
Molecular Weight207.29202 [g/mol]
Molecular FormulaC11H13NOS
XLogP3.1
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count1
Tautomer Count2
Exact Mass207.071785
MonoIsotopic Mass207.071785
Topological Polar Surface Area21.6
Heavy Atom Count14
Formal Charge0
Complexity223
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine-2-thiol
Canonical SMILES: CC1CC(OC(=N1)S)C2=CC=CC=C2
InChI: InChI=1/C11H13NOS/c1-8-7-10(13-11(14)12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,
1H3,(H,12,14)/f/h14H

 
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