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91024-47-4 | 1,4-dimethyl-3h-phenothiazin-3-one
CAS No: 91024-47-4 Catalog No: AG006FJM MDL No:
Product Description
Catalog Number:
AG006FJM
Chemical Name:
1,4-dimethyl-3h-phenothiazin-3-one
CAS Number:
91024-47-4
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
IUPAC Name:
1,4-dimethylphenothiazin-3-one
InChI:
InChI=1S/C14H11NOS/c1-8-7-11(16)9(2)14-13(8)15-10-5-3-4-6-12(10)17-14/h3-7H,1-2H3
InChI Key:
ABHVMSPUDRDASM-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)c(c2c1nc1ccccc1s2)C
NSC Number:
129956
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.308g/mol
Monoisotopic Mass:
241.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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