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85153-42-0 | 4-(10H-phenothiazin-2-ylimino)cyclohexa-2,5-dien-1-one S-oxide
CAS No: 85153-42-0 Catalog No: AG00GDTG MDL No:
Product Description
Catalog Number:
AG00GDTG
Chemical Name:
4-(10H-phenothiazin-2-ylimino)cyclohexa-2,5-dien-1-one S-oxide
CAS Number:
85153-42-0
IUPAC Name:
4-[(5-oxo-10H-phenothiazin-2-yl)imino]cyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C18H12N2O2S/c21-14-8-5-12(6-9-14)19-13-7-10-18-16(11-13)20-15-3-1-2-4-17(15)23(18)22/h1-11,20H
InChI Key:
UOYOZMLYHNJCBB-UHFFFAOYSA-N
EC Number:
285-823-5
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.062g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.366g/mol
Monoisotopic Mass:
320.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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