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10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(8),2(6)-dien-12-one

10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(8),2(6)-dien-12-one

Formula: C9H8N2OS2

SMILES: O=C1NC(=S)NC2=C1C1=C(CCC1)S2

IUPAC: 10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(8),2(6)-dien-12-one

InChI: InChI=1S/C9H8N2OS2/c12-7-6-4-2-1-3-5(4)14-8(6)11-9(13)10-7/h1-3H2,(H2,10,11,12,13)

Composition: C (48.19%), H (3.60%), N (12.49%), O (7.13%), S (28.59%)

Molar Mass: 224.3

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 224.007805234
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey PGRPTHCBVLJQON-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.85
Topological Polar Surface Area 41.13
Polarizability 22.18
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C9H8N2OS2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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