
 MLS002639376

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.7908   -1.0353    0.4221 C   0  0  0  0  0
   -1.5519    0.1311    0.3766 C   0  0  0  0  0
   -0.9595    1.3347   -0.0063 C   0  0  0  0  0
    0.3966    1.3731   -0.3437 C   0  0  0  0  0
    1.1724    0.2028   -0.2984 C   0  0  0  0  0
    0.5645   -1.0011    0.0865 C   0  0  0  0  0
    2.6026    0.1813   -0.6314 C   0  0  0  0  0
    3.5907    0.4880    0.2184 C   0  0  0  0  0
    5.0197    0.4610   -0.1911 C   0  0  0  0  0
    5.4376    0.1392   -1.2914 O   0  0  0  0  0
    5.8043    0.8423    0.8606 N   0  0  0  0  0
    5.1938    1.1490    2.0380 C   0  0  0  0  0
    6.0095    1.6181    3.3998 S   0  0  0  0  0
    3.4628    0.9614    1.8738 S   0  0  0  0  0
    1.0681    2.8936   -0.8224 Cl  0  0  0  0  0
   -1.2522   -1.9738    0.7210 H   0  0  0  0  0
   -2.6067    0.1037    0.6393 H   0  0  0  0  0
   -1.5600    2.2403   -0.0404 H   0  0  0  0  0
    1.1429   -1.9218    0.1312 H   0  0  0  0  0
    2.8308   -0.0995   -1.6579 H   0  0  0  0  0
    6.8065    0.8828    0.7557 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 15  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 19  1  0  0  0
  7  8  2  0  0  0
  7 20  1  0  0  0
  8 14  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 21  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
M  END

>  <Chemical Name>
MLS002639376

>  <PubChem CID>
2787053

>  <Formula>
C10H6ClNOS2

>  <Molecular Weight>
255.734000

>  <IUPAC Name>
5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C(=C1)C=C2C(=O)NC(=S)S2)Cl

>  <Isomeric SMILES>
C1=CC=C(C(=C1)C=C2C(=O)NC(=S)S2)Cl

>  <InChI Std. ID>
InChI=1S/C10H6ClNOS2/c11-7-4-2-1-3-6(7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)

>  <InChI Key>
AAIBSXUAGRXSIQ-UHFFFAOYSA-N

