1982
  -OEChem-04252400382D

 20 19  0     1  0  0  0  0  0999 V2000
    2.8660   -0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3660    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.2320    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -0.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    0.6709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3 10  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  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
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1982

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
172

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiMAJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgQQgCAAAACBgAKCAABAARAIQAEQEIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[methoxy(methylsulfanyl)phosphoryl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[methoxy-(methylthio)phosphoryl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[methoxy(methylsulfanyl)phosphoryl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[methoxy(methylsulfanyl)phosphoryl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[methoxy(methylsulfanyl)phosphoryl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[methoxy-(methylthio)phosphoryl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
YASYVMFAVPKPKE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.8

> <PUBCHEM_EXACT_MASS>
183.01190135

> <PUBCHEM_MOLECULAR_FORMULA>
C4H10NO3PS

> <PUBCHEM_MOLECULAR_WEIGHT>
183.17

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NP(=O)(OC)SC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NP(=O)(OC)SC

> <PUBCHEM_CACTVS_TPSA>
80.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
183.01190135

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  6  3

$$$$