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methyl 2-({[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl}methanesulfinyl)benzoate

methyl 2-({[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl}methanesulfinyl)benzoate

CAS: 338966-04-4

Formula: C19H15ClN2O4S2

SMILES: COC(=O)C1=C(C=CC=C1)S(=O)CC(=O)NC1=NC(=CS1)C1=CC=C(Cl)C=C1

IUPAC: methyl 2-({[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl}methanesulfinyl)benzoate

InChI: InChI=1/C19H15ClN2O4S2/c1-26-18(24)14-4-2-3-5-16(14)28(25)11-17(23)22-19-21-15(10-27-19)12-6-8-13(20)9-7-12/h2-10H,11H2,1H3,(H,21,22,23)

Composition: C (52.47%), H (3.48%), Cl (8.15%), N (6.44%), O (14.71%), S (14.74%)

Molar Mass: 434.91

Atom Count: 43

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 434.016177
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey RSYGAVBQYPQNBW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.97
Topological Polar Surface Area 85.36
Polarizability 43.46
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338966-04-4 $51.35-$86.31$51.35$63.37$86.31
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