526931
 OpenBabel05082101102D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.4851   -0.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4851    1.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388    0.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388   -0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0687    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -0.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0224    1.5895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2340    1.8472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5295    0.0608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5295    0.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3962    1.8742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6891   -1.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0872   -1.8742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8684   -1.4761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
526931

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
116

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgIABAAAAAAAAAAAAAAAAAASJAAAAAAAAAAAASAAABgAAAGgQAAAAADASk2AKiBYAABEiIAohSgAACCAAkKBAAiBMECMgMJjKkNRqCGSCkwBEoqQeIAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
6-methyl-2,3-dihydrothieno[2,3-c]furan

>  <PUBCHEM_IUPAC_CAS_NAME>
6-methyl-2,3-dihydrothieno[2,3-c]furan

>  <PUBCHEM_IUPAC_NAME_MARKUP>
6-methyl-2,3-dihydrothieno[2,3-c]furan

>  <PUBCHEM_IUPAC_NAME>
6-methyl-2,3-dihydrothieno[2,3-c]furan

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methyl-2,3-dihydrothieno[2,3-c]furan

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-methyl-2,3-dihydrothieno[2,3-c]furan

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H8OS/c1-5-7-6(4-8-5)2-3-9-7/h4H,2-3H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
WQOKVCDOEDFSAJ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.9

>  <PUBCHEM_EXACT_MASS>
140.029586

>  <PUBCHEM_MOLECULAR_FORMULA>
C7H8OS

>  <PUBCHEM_MOLECULAR_WEIGHT>
140.2

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C2C(=CO1)CCS2

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C2C(=CO1)CCS2

>  <PUBCHEM_CACTVS_TPSA>
38.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
140.029586

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
9

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
2  7  8
2  8  8
4  5  8
4  8  8
5  7  8

$$$$
