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581-30-6 | 3-Phenothiazone
CAS No: 581-30-6 Catalog No: AG003JUX MDL No:
Product Description
Catalog Number:
AG003JUX
Chemical Name:
3-Phenothiazone
CAS Number:
581-30-6
Molecular Formula:
C12H7NOS
Molecular Weight:
213.2551
IUPAC Name:
phenothiazin-3-one
InChI:
InChI=1S/C12H7NOS/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13-10/h1-7H
InChI Key:
YKGCCFHSXQHWIG-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(c1)sc1c(n2)cccc1
UNII:
5YML4NNP1E
NSC Number:
402439
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.254g/mol
Monoisotopic Mass:
213.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Oxidation of phenothiazine and phenoxazine by Cunninghamella elegans. | Xenobiotica; the fate of foreign compounds in biological systems 20011101 |
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