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methyl thieno[2,3-c]pyridine-3-carboxylate

methyl thieno[2,3-c]pyridine-3-carboxylate

CAS: 28783-21-3

Formula: C9H7NO2S

SMILES: COC(=O)C1=CSC2=CN=CC=C12

IUPAC: methyl thieno[2,3-c]pyridine-3-carboxylate

InChI: InChI=1S/C9H7NO2S/c1-12-9(11)7-5-13-8-4-10-3-2-6(7)8/h2-5H,1H3

Composition: C (55.95%), H (3.65%), N (7.25%), O (16.56%), S (16.59%)

Molar Mass: 193.22

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 193.019749643
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MTYYZCUGEPQHNG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.27
Topological Polar Surface Area 39.19
Polarizability 20.04
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS UnitPrice
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Purity LeadTime CAS PacketSize UnitPrice
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