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156574-52-6 | Benzenamine, 4-(5,6-dihydro-2-phenyl-1,4-oxathiin-3-yl)-N,N-dimethyl-
CAS No: 156574-52-6 Catalog No: AG001OT5 MDL No:
Product Description
Catalog Number:
AG001OT5
Chemical Name:
Benzenamine, 4-(5,6-dihydro-2-phenyl-1,4-oxathiin-3-yl)-N,N-dimethyl-
CAS Number:
156574-52-6
Molecular Formula:
C18H19NOS
Molecular Weight:
297.4146
IUPAC Name:
N,N-dimethyl-4-(6-phenyl-2,3-dihydro-1,4-oxathiin-5-yl)aniline
InChI:
InChI=1S/C18H19NOS/c1-19(2)16-10-8-15(9-11-16)18-17(20-12-13-21-18)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
InChI Key:
ZPYHCYGRNUWRNW-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C1=C(OCCS1)c1ccccc1)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.416g/mol
Monoisotopic Mass:
297.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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