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4-hydroxy-8,14-dithia-11-azatricyclo[7.5.0.0²,?]tetradeca-1(9),2,4,6-tetraen-10-one

4-hydroxy-8,14-dithia-11-azatricyclo[7.5.0.0²,?]tetradeca-1(9),2,4,6-tetraen-10-one

CAS: 1233533-04-4

Formula: C11H9NO2S2

SMILES: OC1=CC=C2SC3=C(SCCNC3=O)C2=C1

IUPAC: 4-hydroxy-8,14-dithia-11-azatricyclo[7.5.0.0²,?]tetradeca-1(9),2,4,6-tetraen-10-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)

Composition: C (52.57%), H (3.61%), N (5.57%), O (12.73%), S (25.51%)

Molar Mass: 251.32

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 251.007470882
Formal Charge 0
FSP3 0.18
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey DHUAGGSHTKPOHU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.13
Topological Polar Surface Area 49.33
Polarizability 25.96
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1233533-04-4 $41.28-$482.34$41.28$74.15$107.02$251.49$482.34
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