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ethyl 1-[(2,5-dimethoxyphenyl)carbamothioyl]piperidine-4-carboxylate

ethyl 1-[(2,5-dimethoxyphenyl)carbamothioyl]piperidine-4-carboxylate

Formula: C17H24N2O4S

SMILES: CCOC(=O)C1CCN(CC1)C(=S)NC1=CC(OC)=CC=C1OC

IUPAC: ethyl 1-[(2,5-dimethoxyphenyl)carbamothioyl]piperidine-4-carboxylate

InChI: InChI=1S/C17H24N2O4S/c1-4-23-16(20)12-7-9-19(10-8-12)17(24)18-14-11-13(21-2)5-6-15(14)22-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,18,24)

Composition: C (57.93%), H (6.86%), N (7.95%), O (18.16%), S (9.10%)

Molar Mass: 352.45

Atom Count: 48

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 352.145678435
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RYQUMDRJODVDEY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.21
Topological Polar Surface Area 60.03
Polarizability 37.69
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H24N2O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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