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18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0³,?.0¹²,¹?]octadeca-3(7),5,12(17),13,15-pentaen-8-yl acetate

18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0³,?.0¹²,¹?]octadeca-3(7),5,12(17),13,15-pentaen-8-yl acetate

CAS: 866008-44-8

Formula: C17H15NO3S2

SMILES: CC(=O)OC1CSC2N(CC3=C1C=CS3)C(=O)C1=C2C=CC=C1

IUPAC: 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0³,?.0¹²,¹?]octadeca-3(7),5,12(17),13,15-pentaen-8-yl acetate

InChI: InChI=1/C17H15NO3S2/c1-10(19)21-14-9-23-17-12-5-3-2-4-11(12)16(20)18(17)8-15-13(14)6-7-22-15/h2-7,14,17H,8-9H2,1H3

Composition: C (59.11%), H (4.38%), N (4.05%), O (13.89%), S (18.56%)

Molar Mass: 345.43

Atom Count: 38

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 345.049335695
Formal Charge 0
FSP3 0.29
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FGEJKORVRVLUJI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.76
Topological Polar Surface Area 46.61
Polarizability 34.85
Ring Count 4
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 866008-44-8 $51.35-$524.40$51.35$63.37$86.31$524.40
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