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88320-01-8 | 2H-1,4-Benzothiazine, 3,4-dihydro-4-(1-oxopentyl)-
CAS No: 88320-01-8 Catalog No: AG0047RC MDL No:
Product Description
Catalog Number:
AG0047RC
Chemical Name:
2H-1,4-Benzothiazine, 3,4-dihydro-4-(1-oxopentyl)-
CAS Number:
88320-01-8
Molecular Formula:
C13H17NOS
Molecular Weight:
235.3452
IUPAC Name:
1-(2,3-dihydro-1,4-benzothiazin-4-yl)pentan-1-one
InChI:
InChI=1S/C13H17NOS/c1-2-3-8-13(15)14-9-10-16-12-7-5-4-6-11(12)14/h4-7H,2-3,8-10H2,1H3
InChI Key:
BGNAPQDGAOEKRU-UHFFFAOYSA-N
SMILES:
CCCCC(=O)N1CCSc2c1cccc2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.345g/mol
Monoisotopic Mass:
235.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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