3082
  -OEChem-04202400042D

 24 23  0     0  0  0  0  0  0999 V2000
    4.5981    0.0670    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.2990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4330    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.9699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722   -0.4699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3082

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
191

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiMAJgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgQQACAAAACFwAaCAALAARAIAAEQEAAAAAAAAAAAAIAIAAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-dimethoxyphosphinothioylsulfanyl-N-methyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(dimethoxyphosphinothioylthio)-N-methylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-dimethoxyphosphinothioylsulfanyl-<I>N</I>-methylacetamide

> <PUBCHEM_IUPAC_NAME>
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-dimethoxyphosphinothioylsulfanyl-N-methyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(dimethoxythiophosphorylthio)-N-methyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
MCWXGJITAZMZEV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.8

> <PUBCHEM_EXACT_MASS>
228.99962259

> <PUBCHEM_MOLECULAR_FORMULA>
C5H12NO3PS2

> <PUBCHEM_MOLECULAR_WEIGHT>
229.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC(=O)CSP(=S)(OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC(=O)CSP(=S)(OC)OC

> <PUBCHEM_CACTVS_TPSA>
105

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
228.99962259

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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

$$$$