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

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

CAS: 40106-13-6

Formula: C12H17NO2S

SMILES: CCOC(=O)C1=C(N)SC2=C1CCCCC2

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

InChI: InChI=1S/C12H17NO2S/c1-2-15-12(14)10-8-6-4-3-5-7-9(8)16-11(10)13/h2-7,13H2,1H3

Composition: C (60.22%), H (7.16%), N (5.85%), O (13.37%), S (13.40%)

Molar Mass: 239.33

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.097999965
Formal Charge	0
FSP3	0.58
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XTUHIGALMIGZST-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.82
Topological Polar Surface Area	52.32
Polarizability	24.73
Ring Count	2
Rotatable Bond Count	3

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