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ethyl 6H-thieno[2,3-b]pyrrole-5-carboxylate

ethyl 6H-thieno[2,3-b]pyrrole-5-carboxylate

CAS: 35357-56-3

Formula: C9H9NO2S

SMILES: CCOC(=O)C1=CC2=C(N1)SC=C2

IUPAC: ethyl 6H-thieno[2,3-b]pyrrole-5-carboxylate

InChI: InChI=1S/C9H9NO2S/c1-2-12-9(11)7-5-6-3-4-13-8(6)10-7/h3-5,10H,2H2,1H3

Composition: C (55.37%), H (4.65%), N (7.17%), O (16.39%), S (16.42%)

Molar Mass: 195.24

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 195.035399708
Formal Charge 0
FSP3 0.22
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey KRPJGLCVEYTVBW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.83
Topological Polar Surface Area 42.09
Polarizability 19.81
Ring Count 2
Rotatable Bond Count 3

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