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7-(2-methylphenyl)-3-(methylsulfanyl)-16-thia-2,4,5,7-tetraazatetracyclo[7.7.0.0²,?.0¹?,¹?]hexadeca-1(9),3,5,10(15)-tetraen-8-one

7-(2-methylphenyl)-3-(methylsulfanyl)-16-thia-2,4,5,7-tetraazatetracyclo[7.7.0.0²,?.0¹?,¹?]hexadeca-1(9),3,5,10(15)-tetraen-8-one

Formula: C19H18N4OS2

SMILES: CSC1=NN=C2N1C1=C(C3=C(CCCC3)S1)C(=O)N2C1=CC=CC=C1C

IUPAC: 7-(2-methylphenyl)-3-(methylsulfanyl)-16-thia-2,4,5,7-tetraazatetracyclo[7.7.0.0²,?.0¹?,¹?]hexadeca-1(9),3,5,10(15)-tetraen-8-one

InChI: InChI=1S/C19H18N4OS2/c1-11-7-3-5-9-13(11)22-16(24)15-12-8-4-6-10-14(12)26-17(15)23-18(22)20-21-19(23)25-2/h3,5,7,9H,4,6,8,10H2,1-2H3

Composition: C (59.66%), H (4.74%), N (14.65%), O (4.18%), S (16.76%)

Molar Mass: 382.5

Atom Count: 44

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 382.092203564
Formal Charge 0
FSP3 0.32
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FSVWXUWRVZHRCI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 117.02
Topological Polar Surface Area 51.02
Polarizability 39.57
Ring Count 5
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H18N4OS2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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