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9-thia-11,17-diazatetracyclo[8.8.0.0²,?.0¹²,¹?]octadeca-1(10),2(8),11-trien-18-one

9-thia-11,17-diazatetracyclo[8.8.0.0²,?.0¹²,¹?]octadeca-1(10),2(8),11-trien-18-one

Formula: C15H18N2OS

SMILES: O=C1N2CCCCC2=NC2=C1C1=C(CCCCC1)S2

IUPAC: 9-thia-11,17-diazatetracyclo[8.8.0.0²,?.0¹²,¹?]octadeca-1(10),2(8),11-trien-18-one

InChI: InChI=1S/C15H18N2OS/c18-15-13-10-6-2-1-3-7-11(10)19-14(13)16-12-8-4-5-9-17(12)15/h1-9H2

Composition: C (65.66%), H (6.61%), N (10.21%), O (5.83%), S (11.68%)

Molar Mass: 274.38

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 274.113984382
Formal Charge 0
FSP3 0.6
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ZRAIQNKBKDBEFS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.07
Topological Polar Surface Area 32.67
Polarizability 28.63
Ring Count 4
Rotatable Bond Count 0

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H18N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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