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88892-00-6 | 2H-Thiopyran-2-imine
CAS No: 88892-00-6 Catalog No: AG0049J1 MDL No:
Product Description
Catalog Number:
AG0049J1
Chemical Name:
2H-Thiopyran-2-imine
CAS Number:
88892-00-6
Molecular Formula:
C5H5NS
Molecular Weight:
111.1649
IUPAC Name:
thiopyran-2-imine
InChI:
InChI=1S/C5H5NS/c6-5-3-1-2-4-7-5/h1-4,6H
InChI Key:
SFBUZLPJTDBGAC-UHFFFAOYSA-N
SMILES:
N=c1ccccs1
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.014g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.162g/mol
Monoisotopic Mass:
111.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Theoretical study of the ruthenium-catalyzed cyclocotrimerization of alkynes with isocyanates and iothiocyanates: cemoselective formation of pyridine-2-one and thiopyrane-2-imine. | The Journal of organic chemistry 20031031 |
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