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11-phenyl-10-thia-1,8-diazatricyclo[7.4.0.0²,?]trideca-2,4,6,8,11-pentaen-13-ol

11-phenyl-10-thia-1,8-diazatricyclo[7.4.0.0²,?]trideca-2,4,6,8,11-pentaen-13-ol

Formula: C16H12N2OS

SMILES: OC1C=C(SC2=NC3=CC=CC=C3N12)C1=CC=CC=C1

IUPAC: 11-phenyl-10-thia-1,8-diazatricyclo[7.4.0.0²,?]trideca-2,4,6,8,11-pentaen-13-ol

InChI: InChI=1/C16H12N2OS/c19-15-10-14(11-6-2-1-3-7-11)20-16-17-12-8-4-5-9-13(12)18(15)16/h1-10,15,19H

Composition: C (68.55%), H (4.31%), N (9.99%), O (5.71%), S (11.44%)

Molar Mass: 280.35

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 280.067034188
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SDSKRKVDMRVPLW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.84
Topological Polar Surface Area 38.05
Polarizability 32.51
Ring Count 4
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H12N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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