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89406-08-6 | 4H-3,1-Benzothiazine-4-thione, 2-phenyl-, S-oxide
CAS No: 89406-08-6 Catalog No: AG003VSY MDL No:
Product Description
Catalog Number:
AG003VSY
Chemical Name:
4H-3,1-Benzothiazine-4-thione, 2-phenyl-, S-oxide
CAS Number:
89406-08-6
Molecular Formula:
C14H9NOS2
Molecular Weight:
271.3574
IUPAC Name:
2-phenyl-4-sulfinyl-3,1-benzothiazine
InChI:
InChI=1S/C14H9NOS2/c16-18-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
InChI Key:
LBDNKLFWLHCPOW-UHFFFAOYSA-N
SMILES:
O=S=c1sc(nc2c1cccc2)c1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.013g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.352g/mol
Monoisotopic Mass:
271.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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