
 cystamine

 20 19  0  0  0  0  0  0  0  0999 V2000
   -2.7594    0.1580    0.4455 C   0  0  0  0  0
   -1.7058    0.0470    1.5510 C   0  0  0  0  0
   -0.0674    0.5287    0.9081 S   0  0  0  0  0
    1.1452    0.2017    2.5402 S   0  0  0  0  0
    0.7569    1.6023    3.6475 C   0  0  0  0  0
    1.1625    2.9616    3.0759 C   0  0  0  0  0
    0.8052    4.0438    4.0022 N   0  0  0  0  0
   -4.1092   -0.0435    0.9836 N   0  0  0  0  0
   -2.7235    1.1435   -0.0344 H   0  0  0  0  0
   -2.5758   -0.5985   -0.3257 H   0  0  0  0  0
   -1.6655   -0.9794    1.9295 H   0  0  0  0  0
   -1.9639    0.7176    2.3766 H   0  0  0  0  0
    1.2949    1.4229    4.5857 H   0  0  0  0  0
   -0.3119    1.5779    3.8879 H   0  0  0  0  0
    0.6574    3.1578    2.1258 H   0  0  0  0  0
    2.2434    2.9940    2.8955 H   0  0  0  0  0
    1.3226    3.9345    4.8753 H   0  0  0  0  0
    1.1077    4.9341    3.6054 H   0  0  0  0  0
   -4.7851    0.0334    0.2230 H   0  0  0  0  0
   -4.3327    0.7117    1.6322 H   0  0  0  0  0
  1  8  1  0  0  0
  1  2  1  0  0  0
  1  9  1  0  0  0
  1 10  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  6 15  1  0  0  0
  6 16  1  0  0  0
  7 17  1  0  0  0
  7 18  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
M  END

>  <Chemical Name>
cystamine

>  <PubChem CID>
2915

>  <Formula>
C4H12N2S2

>  <Molecular Weight>
152.274000

>  <IUPAC Name>
2-(2-aminoethyldisulfanyl)ethanamine

>  <XlogP>
-1.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C(CSSCCN)N

>  <Isomeric SMILES>
C(CSSCCN)N

>  <InChI Std. ID>
InChI=1S/C4H12N2S2/c5-1-3-7-8-4-2-6/h1-6H2

>  <InChI Key>
APQPRKLAWCIJEK-UHFFFAOYSA-N

