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3-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione

3-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione

Formula: C17H22N2O2S

SMILES: COC1=CC(=CC(OC)=C1)C1=NC2(CCCCCC2)NC1=S

IUPAC: 3-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione

InChI: InChI=1S/C17H22N2O2S/c1-20-13-9-12(10-14(11-13)21-2)15-16(22)19-17(18-15)7-5-3-4-6-8-17/h9-11H,3-8H2,1-2H3,(H,19,22)

Composition: C (64.12%), H (6.96%), N (8.80%), O (10.05%), S (10.07%)

Molar Mass: 318.44

Atom Count: 44

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 318.14019913
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DGYHZZYBVRCROL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.89
Topological Polar Surface Area 42.85
Polarizability 35.77
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H22N2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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