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methyl 2-acetamidothiophene-3-carboxylate

methyl 2-acetamidothiophene-3-carboxylate

CAS: 22288-81-9

Formula: C8H9NO3S

SMILES: COC(=O)C1=C(NC(C)=O)SC=C1

IUPAC: methyl 2-acetamidothiophene-3-carboxylate

InChI: InChI=1S/C8H9NO3S/c1-5(10)9-7-6(3-4-13-7)8(11)12-2/h3-4H,1-2H3,(H,9,10)

Composition: C (48.23%), H (4.55%), N (7.03%), O (24.09%), S (16.09%)

Molar Mass: 199.22

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 199.030314328
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MLAPMAXKPXBHKO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.21
Topological Polar Surface Area 55.4
Polarizability 18.42
Ring Count 1
Rotatable Bond Count 3

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Key Organics Ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 22288-81-9 $51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70
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LabNetwork INC
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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 22288-81-9 $81.65-$1,701.00$81.65$153.09$306.18$918.54$1,701.00
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