1-Chloro-2-({2-[(2-Chloroethyl)Sulfanyl]Ethyl}Sulfanyl)Ethane

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Properties Simple | Detailed

Formula C6H12Cl2S2
IUPAC Name 1,2-bis(2-chloroethylsulfanyl)ethane
Molecular Mass 219.195 g·mol−1
Heat of Formation -121.5 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 247.61 Å 3
Surface Area 241.93 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C2
Synonyms
  • 1,2-bis(2-chloroethylthio)ethane
  • 1,2-bis(beta-chloroethylthio)ethane
  • 1,8-dichloro-3,6-dithiaoctane
  • 3,6-dithia-1,8-octanedichloride
  • bis(2-chloroethylthio)ethane
  • ethane, 1,2-bis(2-chloroethylmercapto)-
  • ethane, 1,2-bis[(2-chloroethyl)mercapto]-
  • ethane, 1,2-bis[(2-chloroethyl)thio]-
  • sesqui-mustard
  • sesqui-mustard q
  • sesquimustard
  • sesquimustard q
  • sesquisulfur mustard
  • sm 1
  • ssm
CAS Number(s)
  • 3563-36-8
InChIKey AMGNHZVUZWILSB-UHFFFAOYSA-N
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Elements H S C Cl