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3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)urea

3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)urea

Formula: C16H13ClN4O2S

SMILES: COC1=CC=CC=C1NC(=O)NC1=NN=C(S1)C1=CC=CC=C1Cl

IUPAC: 3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)urea

InChI: InChI=1S/C16H13ClN4O2S/c1-23-13-9-5-4-8-12(13)18-15(22)19-16-21-20-14(24-16)10-6-2-3-7-11(10)17/h2-9H,1H3,(H2,18,19,21,22)

Composition: C (53.26%), H (3.63%), Cl (9.82%), N (15.53%), O (8.87%), S (8.89%)

Molar Mass: 360.82

Atom Count: 37

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 360.0447745
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey JUQRLZBLUVYVTA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 107.23
Topological Polar Surface Area 76.14
Polarizability 35.74
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H13ClN4O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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