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11-methyl-5-(5-methylthiophen-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

11-methyl-5-(5-methylthiophen-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C16H18N2OS2

SMILES: CC1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=C(C)S1

IUPAC: 11-methyl-5-(5-methylthiophen-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C16H18N2OS2/c1-8-3-5-10-12(7-8)21-16-13(10)15(19)17-14(18-16)11-6-4-9(2)20-11/h4,6,8,14,18H,3,5,7H2,1-2H3,(H,17,19)

Composition: C (60.35%), H (5.70%), N (8.80%), O (5.02%), S (20.13%)

Molar Mass: 318.45

Atom Count: 39

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 318.086055556
Formal Charge 0
FSP3 0.44
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey CXYAGORFWUVSEQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 87.79
Topological Polar Surface Area 41.13
Polarizability 32.42
Ring Count 4
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H18N2OS2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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