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methyl 2-(2-cyanoacetamido)-4-ethyl-5-methylthiophene-3-carboxylate

methyl 2-(2-cyanoacetamido)-4-ethyl-5-methylthiophene-3-carboxylate

CAS: 514219-83-1

Formula: C12H14N2O3S

SMILES: CCC1=C(C)SC(NC(=O)CC#N)=C1C(=O)OC

IUPAC: methyl 2-(2-cyanoacetamido)-4-ethyl-5-methylthiophene-3-carboxylate

InChI: InChI=1S/C12H14N2O3S/c1-4-8-7(2)18-11(10(8)12(16)17-3)14-9(15)5-6-13/h4-5H2,1-3H3,(H,14,15)

Composition: C (54.12%), H (5.30%), N (10.52%), O (18.02%), S (12.04%)

Molar Mass: 266.32

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 266.072513493
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WSRWVTILTMZNLG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.23
Topological Polar Surface Area 79.19
Polarizability 25.46
Ring Count 1
Rotatable Bond Count 5

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95% <2 Days 514219-83-1 $269.51$269.51
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