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88320-00-7 | 2H-1,4-Benzothiazine, 3,4-dihydro-4-(1-oxobutyl)-
CAS No: 88320-00-7 Catalog No: AG0048GG MDL No:
Product Description
Catalog Number:
AG0048GG
Chemical Name:
2H-1,4-Benzothiazine, 3,4-dihydro-4-(1-oxobutyl)-
CAS Number:
88320-00-7
Molecular Formula:
C12H15NOS
Molecular Weight:
221.3186
IUPAC Name:
1-(2,3-dihydro-1,4-benzothiazin-4-yl)butan-1-one
InChI:
InChI=1S/C12H15NOS/c1-2-5-12(14)13-8-9-15-11-7-4-3-6-10(11)13/h3-4,6-7H,2,5,8-9H2,1H3
InChI Key:
FQCPKAJXHUWZES-UHFFFAOYSA-N
SMILES:
CCCC(=O)N1CCSc2c1cccc2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.318g/mol
Monoisotopic Mass:
221.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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