S-[2-({[2-(Dimethylamino)Ethyl]Carbamoyl}Oxy)Ethyl] Methanesulfonothioate

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Properties Simple | Detailed

Formula C8H18N2O4S2
IUPAC Name 2-methylsulfonylsulfanylethyl n-[2-(dimethylamino)ethyl]carbamate
Molecular Mass 270.370 g·mol−1
Heat of Formation -688.9 ± 16.7 kJ·mol−1
Dipole Moment 1.60 ± 1.08 D
Volume 311.73 Å 3
Surface Area 298.4 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((methylsulfonyl)thio)ethyl (n-(n,n-dimethylamino)ethyl)carbamate
  • 2-methylsulfonylsulfanylethyl n-(2-dimethylaminoethyl)carbamate
  • mtsac cpd
  • n-(2-dimethylaminoethyl)carbamic acid 2-(mesylthio)ethyl ester
  • n-(2-dimethylaminoethyl)carbamic acid 2-(methylsulfonylthio)ethyl ester
CAS Number(s)
  • 187592-54-7
InChIKey HVXOQQDJVAPFIA-UHFFFAOYSA-N
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