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methyl 2-(2-cyanoacetamido)-5-propylthiophene-3-carboxylate

methyl 2-(2-cyanoacetamido)-5-propylthiophene-3-carboxylate

CAS: 515861-15-1

Formula: C12H14N2O3S

SMILES: CCCC1=CC(C(=O)OC)=C(NC(=O)CC#N)S1

IUPAC: methyl 2-(2-cyanoacetamido)-5-propylthiophene-3-carboxylate

InChI: InChI=1S/C12H14N2O3S/c1-3-4-8-7-9(12(16)17-2)11(18-8)14-10(15)5-6-13/h7H,3-5H2,1-2H3,(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 IBYVSQHFHWKMHP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.72
Topological Polar Surface Area 79.19
Polarizability 25.54
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 515861-15-1 $269.51$269.51
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