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5'-sulfanylidene-1H-spiro[indole-3,2'-[1,3,4,6]tetrazinan]-2-one

5'-sulfanylidene-1H-spiro[indole-3,2'-[1,3,4,6]tetrazinan]-2-one

Formula: C9H9N5OS

SMILES: O=C1NC2=C(C=CC=C2)C11NNC(=S)NN1

IUPAC: 5'-sulfanylidene-1,2-dihydrospiro[indole-3,2'-[1,3,4,6]tetrazinan]-2-one

InChI: InChI=1S/C9H9N5OS/c15-7-9(13-11-8(16)12-14-9)5-3-1-2-4-6(5)10-7/h1-4,13-14H,(H,10,15)(H2,11,12,16)

Composition: C (45.95%), H (3.86%), N (29.77%), O (6.80%), S (13.63%)

Molar Mass: 235.27

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 235.052781104
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 5
InChIKey CFBIQZQTWFHAJS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.7
Topological Polar Surface Area 77.22
Polarizability 24.16
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C9H9N5OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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