Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed I   > IIWHRRXAJKWKJF-UHFFFAOYSA-N
1170478-53-1 structure

IIWHRRXAJKWKJF-UHFFFAOYSA-N

Iupac Name:1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
CAS No.:1170478-53-1
Molecular Weight:318.86
Molecular Formula:C10H8N2OS (isomer)
Names and Identifiers
Synonyms

3-hydroxy-n-methoxy-n-methylbenzamide SCHEMBL1515904

Inchi
InChI=1S/C14H22N2O2S.ClH/c1-10-9-11(2)13(4)14(12(10)3)19(17,18)16-7-5-15-6-8-16;/h9,15H,5-8H2,1-4H3;1H
InChkey
OOQOXTUZTAEYDB-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCNCC2)C)C.Cl
Computational chemical data
  • Molecular Weight:318.86g/mol
  • Molecular Formula:C10H8N2OS
  • Compound Is Canonicalized:True
  • Exact Mass:318.117
  • Monoisotopic Mass:318.117
  • Complexity:384
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:57.8A^2
  • Heavy Atom Count:20
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADceBzMABEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHAQQQAAADADBWAQyAYLAAAKA AiBCAHBCABAgAAAAiJAIAIgIYCKAERCQIAAgkACIiAcAgMAOwAACgAAUAACAAAUAACgAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-25-83697070
  • Fax:86-25-83453275
Recommended Suppliers
  • Tel:86-25-83697070
  • Fax:86-25-83453275
 
<