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3-cyclopropanecarbonyl-1-[4-(pyrrolidine-1-sulfonyl)phenyl]thiourea

3-cyclopropanecarbonyl-1-[4-(pyrrolidine-1-sulfonyl)phenyl]thiourea

Formula: C15H19N3O3S2

SMILES: O=C(NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N1CCCC1)C1CC1

IUPAC: 3-cyclopropanecarbonyl-1-[4-(pyrrolidine-1-sulfonyl)phenyl]thiourea

InChI: InChI=1S/C15H19N3O3S2/c19-14(11-3-4-11)17-15(22)16-12-5-7-13(8-6-12)23(20,21)18-9-1-2-10-18/h5-8,11H,1-4,9-10H2,(H2,16,17,19,22)

Composition: C (50.97%), H (5.42%), N (11.89%), O (13.58%), S (18.14%)

Molar Mass: 353.46

Atom Count: 42

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 353.086783832
Formal Charge 0
FSP3 0.47
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey VGTHCLKUKSPMSF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.05
Topological Polar Surface Area 78.51
Polarizability 36.52
Ring Count 3
Rotatable Bond Count 3

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H19N3O3S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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