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ethyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate

ethyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate

CAS: 884497-37-4

Formula: C15H17NO2S

SMILES: CCOC(=O)C1=C(N)SC(=C1)C(C)C1=CC=CC=C1

IUPAC: ethyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate

InChI: InChI=1/C15H17NO2S/c1-3-18-15(17)12-9-13(19-14(12)16)10(2)11-7-5-4-6-8-11/h4-10H,3,16H2,1-2H3

Composition: C (65.43%), H (6.22%), N (5.09%), O (11.62%), S (11.64%)

Molar Mass: 275.37

Atom Count: 36

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 275.097999965
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DIXRCLQTPWTGBC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.94
Topological Polar Surface Area 52.32
Polarizability 29.59
Ring Count 2
Rotatable Bond Count 5

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