Chem
J-GLOBAL ID：200907085658093490   Nikkaji number：J2.299.016K

MRS-2578

MRS-2578
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H20N6S4
Molecular formula furigana： C20-H20-N6-S4
Molecular weight： 472.660
InChI： InChI=1S/C20H20N6S4/c27-13-23-15-5-3-7-17(11-15)25-19(29)21-9-1-2-10-22-20(30)26-18-8-4-6-16(12-18)24-14-28/h3-8,11-12H,1-2,9-10H2,(H2,21,25,29)(H2,22,26,30)
InChI key： QOHNRGHTJPFMSL-UHFFFAOYSA-N
SMILES： S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(c2)N=C=S)c1
Systematic name  (3)：
  • N,N′′-テトラメチレンビス[N′-(3-イソチオシアナトフェニル)チオ尿素]
  • 3-(3-イソチオシアナトフェニル)-1-(4-{[(3-イソチオシアナトフェニル)カルバモチオイル]アミノ}ブチル)チオ尿素
  • 3-(3-isothiocyanatophenyl)-1-(4-{[(3-isothiocyanatophenyl)carbamothioyl]amino}butyl)thiourea
Other name (2)：
  • N,N′′-Tetramethylenebis[N′-(3-isothiocyanatophenyl)thiourea]
  • MRS-2578
CAS registry number： 711019-86-2
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