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Home> Hot Product Listed T   > T6739166
6322-60-7 structure

T6739166

Iupac Name:4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
CAS No.:6322-60-7
Molecular Weight:253.29
Molecular Formula:C17H22N4O3 (isomer)
Names and Identifiers
Synonyms

3-({[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amino)-4-(propan-2-yloxy)benzonitrile MCULE-3640071974 MOLPORT-009-103-790 Z839769106 ZINC58157845

Inchi
InChI=1S/C10H7NO3S2/c12-8-5-16-10(15)11(8)7-3-1-6(2-4-7)9(13)14/h1-4H,5H2,(H,13,14)
InChkey
GYORTKHHBDTZHY-UHFFFAOYSA-N
Canonical Smiles
C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)C(=O)O
Properties
Refractive Index
1.768
Computational chemical data
  • Molecular Weight:253.29g/mol
  • Molecular Formula:C17H22N4O3
  • Compound Is Canonicalized:True
  • Exact Mass:252.987
  • Monoisotopic Mass:252.987
  • Complexity:337
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • 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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Recommended Suppliers
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  • Fax:1-631-6147828
  • Tel:+380 44 537 32 18
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