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81225-65-2 | 10H-Phenothiazine, 10-(2,2-dimethyl-1-oxopropyl)-
CAS No: 81225-65-2 Catalog No: AG005F3J MDL No:
Product Description
Catalog Number:
AG005F3J
Chemical Name:
10H-Phenothiazine, 10-(2,2-dimethyl-1-oxopropyl)-
CAS Number:
81225-65-2
Molecular Formula:
C17H17NOS
Molecular Weight:
283.3880
IUPAC Name:
2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one
InChI:
InChI=1S/C17H17NOS/c1-17(2,3)16(19)18-12-8-4-6-10-14(12)20-15-11-7-5-9-13(15)18/h4-11H,1-3H3
InChI Key:
KWIABAWBDXVIQR-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)N1c2ccccc2Sc2c1cccc2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.389g/mol
Monoisotopic Mass:
283.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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