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4-(prop-2-en-1-yl)-5-(propylsulfanyl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

4-(prop-2-en-1-yl)-5-(propylsulfanyl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

Formula: C16H20N2OS2

SMILES: CCCSC1=NC2=C(C3=C(CCCC3)S2)C(=O)N1CC=C

IUPAC: 4-(prop-2-en-1-yl)-5-(propylsulfanyl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

InChI: InChI=1S/C16H20N2OS2/c1-3-9-18-15(19)13-11-7-5-6-8-12(11)21-14(13)17-16(18)20-10-4-2/h3H,1,4-10H2,2H3

Composition: C (59.97%), H (6.29%), N (8.74%), O (4.99%), S (20.01%)

Molar Mass: 320.47

Atom Count: 41

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 320.10170562
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MVIUPZUJQNCCLO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 92.38
Topological Polar Surface Area 32.67
Polarizability 34.04
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H20N2OS2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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