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3-amino-11-methyl-4,8-dithia-6-azatricyclo[7.4.0.0²,?]trideca-1(9),2,6-triene-5-thione

3-amino-11-methyl-4,8-dithia-6-azatricyclo[7.4.0.0²,?]trideca-1(9),2,6-triene-5-thione

Formula: C11H12N2S3

SMILES: CC1CCC2=C(C1)SC1=NC(=S)SC(N)=C21

IUPAC: 3-amino-11-methyl-4,8-dithia-6-azatricyclo[7.4.0.0²,?]trideca-1(9),2,6-triene-5-thione

InChI: InChI=1/C11H12N2S3/c1-5-2-3-6-7(4-5)15-10-8(6)9(12)16-11(14)13-10/h5H,2-4,12H2,1H3

Composition: C (49.22%), H (4.51%), N (10.44%), S (35.83%)

Molar Mass: 268.41

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 268.016261916
Formal Charge 0
FSP3 0.45
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WEOYCHIRMYMJAV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.33
Topological Polar Surface Area 38.38
Polarizability 29.84
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H12N2S3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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