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84512-72-1 | 2H-1,3-Thiazine-2-thione, 4,6-diphenyl-
CAS No: 84512-72-1 Catalog No: AG008HW6 MDL No:
Product Description
Catalog Number:
AG008HW6
Chemical Name:
2H-1,3-Thiazine-2-thione, 4,6-diphenyl-
CAS Number:
84512-72-1
Molecular Formula:
C16H11NS2
Molecular Weight:
281.3952
IUPAC Name:
4,6-diphenyl-1,3-thiazine-2-thione
InChI:
InChI=1S/C16H11NS2/c18-16-17-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H
InChI Key:
XJUVEWADHSDHPV-UHFFFAOYSA-N
SMILES:
S=c1nc(cc(s1)c1ccccc1)c1ccccc1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.033g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.391g/mol
Monoisotopic Mass:
281.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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