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3-[(4-chlorophenyl)sulfanyl]-1-(pyrrolidin-1-yl)propan-1-one

3-[(4-chlorophenyl)sulfanyl]-1-(pyrrolidin-1-yl)propan-1-one

Formula: C13H16ClNOS

SMILES: ClC1=CC=C(SCCC(=O)N2CCCC2)C=C1

IUPAC: 3-[(4-chlorophenyl)sulfanyl]-1-(pyrrolidin-1-yl)propan-1-one

InChI: InChI=1S/C13H16ClNOS/c14-11-3-5-12(6-4-11)17-10-7-13(16)15-8-1-2-9-15/h3-6H,1-2,7-10H2

Composition: C (57.88%), H (5.98%), Cl (13.14%), N (5.19%), O (5.93%), S (11.88%)

Molar Mass: 269.79

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 269.064113
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey GRGPPZYBWBWFQN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.61
Topological Polar Surface Area 20.31
Polarizability 28.61
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H16ClNOS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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