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20-thia-9-azapentacyclo[11.7.0.0²,¹?.0³,?.0¹?,¹?]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene

20-thia-9-azapentacyclo[11.7.0.0²,¹?.0³,?.0¹?,¹?]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene

CAS: 1255308-97-4

Formula: C18H11NS

SMILES: N1C2=C(C=CC=C2)C2=C1C=CC1=C2SC2=C1C=CC=C2

IUPAC: 20-thia-9-azapentacyclo[11.7.0.0²,¹?.0³,?.0¹?,¹?]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene

InChI: InChI=1S/C18H11NS/c1-3-7-14-13(6-1)17-15(19-14)10-9-12-11-5-2-4-8-16(11)20-18(12)17/h1-10,19H

Composition: C (79.09%), H (4.06%), N (5.12%), S (11.73%)

Molar Mass: 273.35

Atom Count: 31

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 273.061220532
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 1
InChIKey NPHLAWPEXYBGTP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 83.05
Topological Polar Surface Area 15.79
Polarizability 37.17
Ring Count 5
Rotatable Bond Count 0

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