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3-[2-(4-methoxyphenyl)ethyl]-1-phenylthiourea

3-[2-(4-methoxyphenyl)ethyl]-1-phenylthiourea

Formula: C16H18N2OS

SMILES: COC1=CC=C(CCNC(=S)NC2=CC=CC=C2)C=C1

IUPAC: 3-[2-(4-methoxyphenyl)ethyl]-1-phenylthiourea

InChI: InChI=1S/C16H18N2OS/c1-19-15-9-7-13(8-10-15)11-12-17-16(20)18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,17,18,20)

Composition: C (67.10%), H (6.34%), N (9.78%), O (5.59%), S (11.19%)

Molar Mass: 286.39

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 286.113984382
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey ORBYPCMNAWNBFI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.32
Topological Polar Surface Area 33.29
Polarizability 33.71
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H18N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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