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2-thia-9-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

2-thia-9-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

CAS: 3159-07-7

Formula: C13H9NOS

SMILES: O=C1NC2=CC=CC=C2SC2=C1C=CC=C2

IUPAC: 2-thia-9-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

InChI: InChI=1S/C13H9NOS/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)

Composition: C (68.70%), H (3.99%), N (6.16%), O (7.04%), S (14.11%)

Molar Mass: 227.28

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 227.040485088
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey RTERDTBXBYNZIS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.22
Topological Polar Surface Area 29.1
Polarizability 25.25
Ring Count 3
Rotatable Bond Count 0

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