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Home> Hot Product Listed M   > MOLPORT-007-404-895
61792-48-1 structure

MOLPORT-007-404-895

Iupac Name:sodium;bis(2-methylphenoxy)-sulfanylidene-sulfido-$l^{5}-phosphane
CAS No.:61792-48-1
Molecular Weight:332.348
Molecular Formula:C21H21N3O2 (isomer)
Names and Identifiers
Synonyms

MCULE-8249257512 n-(2-tert-butyl-1,3-benzoxazol-5-yl)-5,7-dimethoxy-1h-indole-2-carboxamide T6659853 Z367297914 ZINC43773525

Inchi
InChI=1S/C14H15O2PS2.Na/c1-11-7-3-5-9-13(11)15-17(18,19)16-14-10-6-4-8-12(14)2;/h3-10H,1-2H3,(H,18,19);/q;+1/p-1
InChkey
UVBFFTCXSYRBPU-UHFFFAOYSA-M
Canonical Smiles
CC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2C)[S-].[Na+]
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 61792-48-1 EC: MOLPORT-007-404-895 ·ECHA C&L Inventory for CAS: CAS: 61792-48-1 EC: MOLPORT-007-404-895
Computational chemical data
  • Molecular Weight:332.348g/mol
  • Molecular Formula:C21H21N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:332.007
  • Monoisotopic Mass:332.007
  • Complexity:315
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:51.6A^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: AAADccBwMCJgAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAAACAADASAmAAyBoAAARCA AiBCAAACAAAgIAAIiAAGCIgIJiKAERKAMAAkwBEIiAeAwCAOAAAAAAAIAAAAAAAAABAAAAAAAAAA AA==
 
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