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methyl 3-[2-(N'-methyl-4-fluorophenylhydrazinesulfonyl)acetamido]thiophene-2-carboxylate

methyl 3-[2-(N'-methyl-4-fluorophenylhydrazinesulfonyl)acetamido]thiophene-2-carboxylate

CAS: 861212-54-6

Formula: C15H16FN3O5S2

SMILES: COC(=O)C1=C(NC(=O)CN(C)NS(=O)(=O)C2=CC=C(F)C=C2)C=CS1

IUPAC: methyl 3-{2-[N'-methyl(4-fluorophenyl)hydrazinesulfonyl]acetamido}thiophene-2-carboxylate

InChI: InChI=1S/C15H16FN3O5S2/c1-19(18-26(22,23)11-5-3-10(16)4-6-11)9-13(20)17-12-7-8-25-14(12)15(21)24-2/h3-8,18H,9H2,1-2H3,(H,17,20)

Composition: C (44.88%), H (4.02%), F (4.73%), N (10.47%), O (19.93%), S (15.97%)

Molar Mass: 401.43

Atom Count: 42

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 401.051541138
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey QAPBOAQTXBHLSN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.8
Topological Polar Surface Area 104.81
Polarizability 36.35
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 861212-54-6 $51.35-$86.31$51.35$63.37$86.31
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