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25206-53-5 | 10H-Phenothiazine, 10-(2-propyn-1-yl)-, 5,5-dioxide
CAS No: 25206-53-5 Catalog No: AG002QXT MDL No:
Product Description
Catalog Number:
AG002QXT
Chemical Name:
10H-Phenothiazine, 10-(2-propyn-1-yl)-, 5,5-dioxide
CAS Number:
25206-53-5
Molecular Formula:
C15H11NO2S
Molecular Weight:
269.3183
IUPAC Name:
10-prop-2-ynylphenothiazine 5,5-dioxide
InChI:
InChI=1S/C15H11NO2S/c1-2-11-16-12-7-3-5-9-14(12)19(17,18)15-10-6-4-8-13(15)16/h1,3-10H,11H2
InChI Key:
WWJFUCNCEQWKAF-UHFFFAOYSA-N
SMILES:
C#CCN1c2ccccc2S(=O)(=O)c2c1cccc2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.318g/mol
Monoisotopic Mass:
269.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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