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ethyl 2-amino-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxylate

ethyl 2-amino-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxylate

CAS: 40106-16-9

Formula: C13H19NO2S

SMILES: CCOC(=O)C1=C(N)SC2=C1CCCCCC2

IUPAC: ethyl 2-amino-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxylate

InChI: InChI=1S/C13H19NO2S/c1-2-16-13(15)11-9-7-5-3-4-6-8-10(9)17-12(11)14/h2-8,14H2,1H3

Composition: C (61.63%), H (7.56%), N (5.53%), O (12.63%), S (12.65%)

Molar Mass: 253.36

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 253.11365003
Formal Charge 0
FSP3 0.62
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZSABKNXVRORVFD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.42
Topological Polar Surface Area 52.32
Polarizability 26.57
Ring Count 2
Rotatable Bond Count 3

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