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17-thiapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,9,11,13,15,18-octaene

17-thiapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,9,11,13,15,18-octaene

CAS: 42490-26-6

Formula: C18H12S

SMILES: S1C=C2C3C4=CC=CC=C4C(C2=C1)C1=CC=CC=C31

IUPAC: 17-thiapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,9,11,13,15,18-octaene

InChI: InChI=1S/C18H12S/c1-2-6-12-11(5-1)17-13-7-3-4-8-14(13)18(12)16-10-19-9-15(16)17/h1-10,17-18H

Composition: C (83.04%), H (4.65%), S (12.31%)

Molar Mass: 260.35

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 260.06597156
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey GFAFZYPBTKDJBD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.81
Topological Polar Surface Area 0
Polarizability 30.25
Ring Count 5
Rotatable Bond Count 0

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Purity LeadTime CAS UnitPrice
98% <14 Days 42490-26-6 Quote Only