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methyl 3-amino-5-chloro-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate

methyl 3-amino-5-chloro-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate

CAS: 1135283-26-9

Formula: C12H11ClN2O2S

SMILES: COC(=O)C1=C(N)C2=CC(Cl)=C(N=C2S1)C1CC1

IUPAC: methyl 3-amino-5-chloro-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate

InChI: InChI=1S/C12H11ClN2O2S/c1-17-12(16)10-8(14)6-4-7(13)9(5-2-3-5)15-11(6)18-10/h4-5H,2-3,14H2,1H3

Composition: C (50.98%), H (3.92%), Cl (12.54%), N (9.91%), O (11.32%), S (11.34%)

Molar Mass: 282.74

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 282.0229765
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ZJENFWZSDVGOFH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.5
Topological Polar Surface Area 65.21
Polarizability 27.18
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1135283-26-9 $51.35-$598.69$51.35$63.37$86.31$374.73$598.69
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