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3-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)thiourea

3-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)thiourea

Formula: C12H18FN3S

SMILES: CN(C)CCCNC(=S)NC1=CC=C(F)C=C1

IUPAC: 3-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)thiourea

InChI: InChI=1S/C12H18FN3S/c1-16(2)9-3-8-14-12(17)15-11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17)

Composition: C (56.44%), H (7.11%), F (7.44%), N (16.46%), S (12.56%)

Molar Mass: 255.36

Atom Count: 35

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 255.120546929
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey QDVNXCSPFYDZSS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.59
Topological Polar Surface Area 27.3
Polarizability 28.26
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H18FN3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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