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methyl 3-benzenesulfonamidothiophene-2-carboxylate

methyl 3-benzenesulfonamidothiophene-2-carboxylate

CAS: 409364-77-8

Formula: C12H11NO4S2

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

IUPAC: methyl 3-benzenesulfonamidothiophene-2-carboxylate

InChI: InChI=1S/C12H11NO4S2/c1-17-12(14)11-10(7-8-18-11)13-19(15,16)9-5-3-2-4-6-9/h2-8,13H,1H3

Composition: C (48.47%), H (3.73%), N (4.71%), O (21.52%), S (21.56%)

Molar Mass: 297.34

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 297.012950186
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DOSQXDPMQNFOHS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.81
Topological Polar Surface Area 72.47
Polarizability 28.37
Ring Count 2
Rotatable Bond Count 4

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 409364-77-8 $51.35-$86.31$51.35$63.37$86.31
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