Text Search
Structure Search

3-chloro-N-{4-[(4-fluorophenyl)sulfanyl]phenyl}-2,2-dimethylpropanamide

3-chloro-N-{4-[(4-fluorophenyl)sulfanyl]phenyl}-2,2-dimethylpropanamide

CAS: 339105-13-4

Formula: C17H17ClFNOS

SMILES: CC(C)(CCl)C(=O)NC1=CC=C(SC2=CC=C(F)C=C2)C=C1

IUPAC: 3-chloro-N-{4-[(4-fluorophenyl)sulfanyl]phenyl}-2,2-dimethylpropanamide

InChI: InChI=1S/C17H17ClFNOS/c1-17(2,11-18)16(21)20-13-5-9-15(10-6-13)22-14-7-3-12(19)4-8-14/h3-10H,11H2,1-2H3,(H,20,21)

Composition: C (60.44%), H (5.07%), Cl (10.49%), F (5.62%), N (4.15%), O (4.74%), S (9.49%)

Molar Mass: 337.84

Atom Count: 39

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 337.0703412
Formal Charge 0
FSP3 0.24
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey BRIAXERVVRHNEK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 92.35
Topological Polar Surface Area 29.1
Polarizability 34.84
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339105-13-4 $51.35-$524.40$51.35$63.37$86.31$524.40
Request Quote