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25947-06-2 | 5H-Benzo[a]phenothiazin-5-one, 6-hydroxy-
CAS No: 25947-06-2 Catalog No: AG002R5Z MDL No:
Product Description
Catalog Number:
AG002R5Z
Chemical Name:
5H-Benzo[a]phenothiazin-5-one, 6-hydroxy-
CAS Number:
25947-06-2
Molecular Formula:
C16H9NO2S
Molecular Weight:
279.3132
IUPAC Name:
12H-benzo[a]phenothiazine-5,6-dione
InChI:
InChI=1S/C16H9NO2S/c18-14-10-6-2-1-5-9(10)13-16(15(14)19)20-12-8-4-3-7-11(12)17-13/h1-8,17H
InChI Key:
UEZLQAKVOSNZSN-UHFFFAOYSA-N
SMILES:
O=c1c(O)c2sc3ccccc3nc2c2c1cccc2
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.035g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.313g/mol
Monoisotopic Mass:
279.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Combination of benzo[a]phenothiazines with acyclovir against herpes simplex virus. | International journal of antimicrobial agents 20010701 |
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