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88626-30-6 | 2H-1,3-Thiazine-2-thione, 4,6-bis(4-methoxyphenyl)-
CAS No: 88626-30-6 Catalog No: AG004A3W MDL No:
Product Description
Catalog Number:
AG004A3W
Chemical Name:
2H-1,3-Thiazine-2-thione, 4,6-bis(4-methoxyphenyl)-
CAS Number:
88626-30-6
Molecular Formula:
C18H15NO2S2
Molecular Weight:
341.4472
IUPAC Name:
4,6-bis(4-methoxyphenyl)-1,3-thiazine-2-thione
InChI:
InChI=1S/C18H15NO2S2/c1-20-14-7-3-12(4-8-14)16-11-17(23-18(22)19-16)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3
InChI Key:
ORFMAEHSYQKHAZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(=S)sc(c1)c1ccc(cc1)OC
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.054g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.443g/mol
Monoisotopic Mass:
341.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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