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Home Other Building Blocks 4-Hydroxy-8,14-dithia-11-azatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2,4,6-tetraen-10-one

4-Hydroxy-8,14-dithia-11-azatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2,4,6-tetraen-10-one

CAS No.:
1233533-04-4
Catalog Number:
AG009CCK
Molecular Formula:
C11H9NO2S2
Molecular Weight:
251.3247
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$164
- +
10mg
≥98%
1 week
United States
$255
- +
25mg
≥98%
1 week
United States
$458
- +
50mg
≥98%
1 week
United States
$805
- +
Product Description
Catalog Number:
AG009CCK
Chemical Name:
4-Hydroxy-8,14-dithia-11-azatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2,4,6-tetraen-10-one
CAS Number:
1233533-04-4
Molecular Formula:
C11H9NO2S2
Molecular Weight:
251.3247
MDL Number:
MFCD18086915
IUPAC Name:
9-hydroxy-3,4-dihydro-2H-[1]benzothiolo[2,3-f][1,4]thiazepin-5-one
InChI:
InChI=1S/C11H9NO2S2/c13-6-1-2-8-7(5-6)9-10(16-8)11(14)12-3-4-15-9/h1-2,5,13H,3-4H2,(H,12,14)
InChI Key:
DHUAGGSHTKPOHU-UHFFFAOYSA-N
SMILES:
Oc1cc2c3SCCNC(=O)c3sc2cc1
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.007g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.318g/mol
Monoisotopic Mass:
251.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Synthesis and Structure-Activity Relationships of Benzothienothiazepinone Inhibitors of Protein Kinase D. ACS medicinal chemistry letters 20110210
Properties