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6431-62-5 | 2H-1,4-Benzothiazine, 3,4-dihydro-4-(1-oxopropyl)-
CAS No: 6431-62-5 Catalog No: AG00H91L MDL No:
Product Description
Catalog Number:
AG00H91L
Chemical Name:
2H-1,4-Benzothiazine, 3,4-dihydro-4-(1-oxopropyl)-
CAS Number:
6431-62-5
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
IUPAC Name:
1-(2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
InChI:
InChI=1S/C11H13NOS/c1-2-11(13)12-7-8-14-10-6-4-3-5-9(10)12/h3-6H,2,7-8H2,1H3
InChI Key:
DVBWTQHPHQVGLC-UHFFFAOYSA-N
SMILES:
CCC(=O)N1CCSc2c1cccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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