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Home> Hot Product Listed N   > n-butyl-3-[(4-chlorophenyl)sulfanyl]propanamide
68238-35-7 structure

n-butyl-3-[(4-chlorophenyl)sulfanyl]propanamide

CAS No.:68238-35-7
Molecular Weight:276.24324
Molecular Formula:C16H11F3N2O5S (isomer)
Names and Identifiers
Synonyms

AC1LWGYA AH-487/41800377 AKOS000372877 MCULE-9412848475 MOLPORT-002-813-446 n-butyl-3-(4-chlorophenyl)sulfanylpropanamide STK105051 ZINC2093705

Inchi
InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
Canonical Smiles
C(CC(=O)O)C(C(=O)NC(CCC(=O)O)C(=O)O)N
Isomers Smiles
C(CC(=O)O)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
Safety and Handling
Risk Statements
R22
Safety Statements
24/25
Reach Info
Computational chemical data
  • Molecular Weight:276.24324g/mol
  • Molecular Formula:C16H11F3N2O5S
  • XLogP3-AA:_5.1
  • Exact Mass:276.095751
  • Monoisotopic Mass:276.095751
  • Complexity:369
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:167
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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