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112183-34-3 | 2H-1,4-Benzothiazin-3(4H)-one, 4-butyl-
CAS No: 112183-34-3 Catalog No: AG008364 MDL No:
Product Description
Catalog Number:
AG008364
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 4-butyl-
CAS Number:
112183-34-3
Molecular Formula:
C12H15NOS
Molecular Weight:
221.3186
IUPAC Name:
4-butyl-1,4-benzothiazin-3-one
InChI:
InChI=1S/C12H15NOS/c1-2-3-8-13-10-6-4-5-7-11(10)15-9-12(13)14/h4-7H,2-3,8-9H2,1H3
InChI Key:
URZIQBMBZHZHPY-UHFFFAOYSA-N
SMILES:
CCCCN1C(=O)CSc2c1cccc2
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:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and microbiological activity of some 4-butyl-2H-benzo[1,4]thiazin-3-one derivatives. | Farmaco (Societa chimica italiana : 1989) 20010901 |
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