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3-(2-chlorobenzoyl)-5-ethylthiophen-2-amine

3-(2-chlorobenzoyl)-5-ethylthiophen-2-amine

CAS: 50508-60-6

Formula: C13H12ClNOS

SMILES: CCC1=CC(C(=O)C2=CC=CC=C2Cl)=C(N)S1

IUPAC: 3-(2-chlorobenzoyl)-5-ethylthiophen-2-amine

InChI: InChI=1S/C13H12ClNOS/c1-2-8-7-10(13(15)17-8)12(16)9-5-3-4-6-11(9)14/h3-7H,2,15H2,1H3

Composition: C (58.75%), H (4.55%), Cl (13.34%), N (5.27%), O (6.02%), S (12.06%)

Molar Mass: 265.76

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 265.0328129
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RFCCZAHPNNJKKR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.98
Topological Polar Surface Area 43.09
Polarizability 27.27
Ring Count 2
Rotatable Bond Count 3

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