
 Homocysteine thiolactone

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.7471   -0.9195   -0.3110 C   0  0  0  0  0
   -1.2889    0.3237    0.3707 C   0  0  0  0  0
   -0.0134    1.5802    0.0797 S   0  0  0  0  0
    1.2814    0.3871   -0.0829 C   0  0  0  0  0
    2.4418    0.7068   -0.2866 O   0  0  0  0  0
    0.7249   -1.0279    0.0793 C   0  0  0  0  0
    1.4344   -2.0162   -0.7415 N   0  0  0  0  0
   -1.3085   -1.8089   -0.0028 H   0  0  0  0  0
   -0.8615   -0.8283   -1.4006 H   0  0  0  0  0
   -1.4025    0.1677    1.4474 H   0  0  0  0  0
   -2.2486    0.6352   -0.0487 H   0  0  0  0  0
    0.8211   -1.3051    1.1355 H   0  0  0  0  0
    1.5671   -1.6592   -1.6886 H   0  0  0  0  0
    0.8943   -2.8752   -0.8191 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7 13  1  0  0  0
  7 14  1  0  0  0
M  END

>  <Chemical Name>
Homocysteine thiolactone

>  <PubChem CID>
134505

>  <Formula>
C4H7NOS

>  <Molecular Weight>
117.166000

>  <IUPAC Name>
(3S)-3-aminothiolan-2-one

>  <XlogP>
-0.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CSC(=O)C1N

>  <Isomeric SMILES>
C1CSC(=O)[C@H]1N

>  <InChI Std. ID>
InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m0/s1

>  <InChI Key>
KIWQWJKWBHZMDT-VKHMYHEASA-N

