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25206-52-4 | 10H-Phenothiazine, 10-(2-propyn-1-yl)-, 5-oxide
CAS No: 25206-52-4 Catalog No: AG002QXU MDL No:
Product Description
Catalog Number:
AG002QXU
Chemical Name:
10H-Phenothiazine, 10-(2-propyn-1-yl)-, 5-oxide
CAS Number:
25206-52-4
Molecular Formula:
C15H11NOS
Molecular Weight:
253.3189
IUPAC Name:
10-prop-2-ynylphenothiazine 5-oxide
InChI:
InChI=1S/C15H11NOS/c1-2-11-16-12-7-3-5-9-14(12)18(17)15-10-6-4-8-13(15)16/h1,3-10H,11H2
InChI Key:
GKIPVOSJMXGTKY-UHFFFAOYSA-N
SMILES:
C#CCN1c2ccccc2S(=O)c2c1cccc2
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.319g/mol
Monoisotopic Mass:
253.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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