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18-thia-2,9-diazatetracyclo[9.7.0.0³,?.0¹²,¹?]octadeca-1(11),2,12(17)-trien-10-imine

18-thia-2,9-diazatetracyclo[9.7.0.0³,?.0¹²,¹?]octadeca-1(11),2,12(17)-trien-10-imine

Formula: C15H19N3S

SMILES: N=C1N2CCCCCC2=NC2=C1C1=C(CCCC1)S2

IUPAC: 18-thia-2,9-diazatetracyclo[9.7.0.0³,?.0¹²,¹?]octadeca-1(11),2,12(17)-trien-10-imine

InChI: InChI=1S/C15H19N3S/c16-14-13-10-6-3-4-7-11(10)19-15(13)17-12-8-2-1-5-9-18(12)14/h16H,1-9H2

Composition: C (65.90%), H (7.01%), N (15.37%), S (11.73%)

Molar Mass: 273.4

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 273.129968798
Formal Charge 0
FSP3 0.6
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XPQWMGWXYPBSTH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.94
Topological Polar Surface Area 39.45
Polarizability 29.46
Ring Count 4
Rotatable Bond Count 0

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98% <10 Days C15H19N3S Quote Only
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90% <16 Days C15H19N3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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