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501001-62-3 | 4H-1,4-Benzothiazine, 3-(4-methylphenyl)-
CAS No: 501001-62-3 Catalog No: AG006VZY MDL No:
Product Description
Catalog Number:
AG006VZY
Chemical Name:
4H-1,4-Benzothiazine, 3-(4-methylphenyl)-
CAS Number:
501001-62-3
Molecular Formula:
C15H13NS
Molecular Weight:
239.3354
IUPAC Name:
3-(4-methylphenyl)-4H-1,4-benzothiazine
InChI:
InChI=1S/C15H13NS/c1-11-6-8-12(9-7-11)14-10-17-15-5-3-2-4-13(15)16-14/h2-10,16H,1H3
InChI Key:
JJCSVIHOSGRWJN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=CSc2c(N1)cccc2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.336g/mol
Monoisotopic Mass:
239.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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