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823801-87-2 | 4H-1,4-Benzothiazine, 2,4-dimethyl-3-phenyl-
CAS No: 823801-87-2 Catalog No: AG004Y2T MDL No:
Product Description
Catalog Number:
AG004Y2T
Chemical Name:
4H-1,4-Benzothiazine, 2,4-dimethyl-3-phenyl-
CAS Number:
823801-87-2
Molecular Formula:
C16H15NS
Molecular Weight:
253.3620
IUPAC Name:
2,4-dimethyl-3-phenyl-1,4-benzothiazine
InChI:
InChI=1S/C16H15NS/c1-12-16(13-8-4-3-5-9-13)17(2)14-10-6-7-11-15(14)18-12/h3-11H,1-2H3
InChI Key:
DUIKNHFBODVWGV-UHFFFAOYSA-N
SMILES:
CC1=C(c2ccccc2)N(c2c(S1)cccc2)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.363g/mol
Monoisotopic Mass:
253.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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