1-{[4-(methylsulfanyl)phenyl]methyl}-4-(propane-1-sulfonyl)piperazine

1-{[4-(methylsulfanyl)phenyl]methyl}-4-(propane-1-sulfonyl)piperazine

Formula: C15H24N2O2S2

SMILES: CCCS(=O)(=O)N1CCN(CC2=CC=C(SC)C=C2)CC1

IUPAC: 1-{[4-(methylsulfanyl)phenyl]methyl}-4-(propane-1-sulfonyl)piperazine

InChI: InChI=1S/C15H24N2O2S2/c1-3-12-21(18,19)17-10-8-16(9-11-17)13-14-4-6-15(20-2)7-5-14/h4-7H,3,8-13H2,1-2H3

Composition: C (54.85%), H (7.36%), N (8.53%), O (9.74%), S (19.52%)

Molar Mass: 328.49

Atom Count: 45

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 328.127920369
Formal Charge 0
FSP3 0.6
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XFZZYJIVOFUXAW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.68
Topological Polar Surface Area 40.62
Polarizability 36.05
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H24N2O2S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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