Text Search
Structure Search

ethyl 3-amino-5-{4-[(trifluoromethyl)sulfanyl]phenoxy}benzoate

ethyl 3-amino-5-{4-[(trifluoromethyl)sulfanyl]phenoxy}benzoate

Formula: C16H14F3NO3S

SMILES: CCOC(=O)C1=CC(N)=CC(OC2=CC=C(SC(F)(F)F)C=C2)=C1

IUPAC: ethyl 3-amino-5-{4-[(trifluoromethyl)sulfanyl]phenoxy}benzoate

InChI: InChI=1S/C16H14F3NO3S/c1-2-22-15(21)10-7-11(20)9-13(8-10)23-12-3-5-14(6-4-12)24-16(17,18)19/h3-9H,2,20H2,1H3

Composition: C (53.78%), H (3.95%), F (15.95%), N (3.92%), O (13.43%), S (8.97%)

Molar Mass: 357.35

Atom Count: 38

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 357.064648978
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DBTLHIWEILDPEB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.76
Topological Polar Surface Area 61.55
Polarizability 32.25
Ring Count 2
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Kinentia Biosciences LLC
Purity LeadTime Formula PacketSize UnitPrice
97% <14 Days C16H14F3NO3S $189.00-$323.19$189.00$323.19
Request Quote