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methyl N-{[3-chloro-4-(4-methoxyphenoxy)phenyl]carbamothioyl}carbamate

methyl N-{[3-chloro-4-(4-methoxyphenoxy)phenyl]carbamothioyl}carbamate

Formula: C16H15ClN2O4S

SMILES: COC(=O)NC(=S)NC1=CC=C(OC2=CC=C(OC)C=C2)C(Cl)=C1

IUPAC: methyl N-{[3-chloro-4-(4-methoxyphenoxy)phenyl]carbamothioyl}carbamate

InChI: InChI=1S/C16H15ClN2O4S/c1-21-11-4-6-12(7-5-11)23-14-8-3-10(9-13(14)17)18-15(24)19-16(20)22-2/h3-9H,1-2H3,(H2,18,19,20,24)

Composition: C (52.39%), H (4.12%), Cl (9.66%), N (7.64%), O (17.45%), S (8.74%)

Molar Mass: 366.82

Atom Count: 39

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 366.0441058
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey ZEZQGQBXNPRDLT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.29
Topological Polar Surface Area 68.82
Polarizability 37.08
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H15ClN2O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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