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20962-93-0 | 10H-Phenothiazine, 10-(2-propen-1-yl)-, 5,5-dioxide
CAS No: 20962-93-0 Catalog No: AG002KCH MDL No:
Product Description
Catalog Number:
AG002KCH
Chemical Name:
10H-Phenothiazine, 10-(2-propen-1-yl)-, 5,5-dioxide
CAS Number:
20962-93-0
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
IUPAC Name:
10-prop-2-enylphenothiazine 5,5-dioxide
InChI:
InChI=1S/C15H13NO2S/c1-2-11-16-12-7-3-5-9-14(12)19(17,18)15-10-6-4-8-13(15)16/h2-10H,1,11H2
InChI Key:
AOZMMMJNWZYJDF-UHFFFAOYSA-N
SMILES:
C=CCN1c2ccccc2S(=O)(=O)c2c1cccc2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.334g/mol
Monoisotopic Mass:
271.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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