Para-Nitrophenoxycarbonyl Methyl Disulfide

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Properties Simple | Detailed

Formula C8H7NO4S2
IUPAC Name (4-nitrophenyl) (methyldisulfanyl)formate
Molecular Mass 245.275 g·mol−1
Heat of Formation -230.7 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 256.3 Å 3
Surface Area 247.11 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.86 ± eV
Point Group Symmetry C1
Synonyms
  • (4-nitrophenyl) methyldisulfanylformate
  • (4-nitrophenyl) methyldisulfanylmethanoate
  • 4-nitrophenoxycarbonyl methyl disulfide
  • carbono(dithioperoxoic) acid, ss-methyl o-(4-nitrophenyl) ester
  • methyldisulfanylformic acid (4-nitrophenyl) ester
  • npcmd
CAS Number(s)
  • 73143-98-3
InChIKey JVECEBGZXGYNGE-UHFFFAOYSA-N
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