Mrv1572004221604302D          

  7  5  0  0  0  0            999 V2000
   -0.1914   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.9520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    3.3809   -0.3020    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
M  CHG  2   6  -1   7   1
M  END
> <DATABASE_ID>
CHEM018053

> <DATABASE_NAME>
chemdb

> <SMILES>
[Na+].CCOC([S-])=S

> <INCHI_IDENTIFIER>
InChI=1S/C3H6OS2.Na/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1

> <INCHI_KEY>
RZFBEFUNINJXRQ-UHFFFAOYSA-M

> <FORMULA>
C3H5NaOS2

> <MOLECULAR_WEIGHT>
144.18

> <EXACT_MASS>
143.96795141

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
11.944135490792764

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium (ethoxymethanethioyl)sulfanide

> <ALOGPS_LOGP>
1.25

> <JCHEM_LOGP>
2.156137313666666

> <ALOGPS_LOGS>
-1.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1412719136212965

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
34.1628

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.52e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium (ethoxymethanethioyl)sulfanide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Sodium O-ethyl carbonodithioate

> <CAS>
140-90-9

> <SYNONYMS>
sodium (ethoxymethanethioyl)sulfanide

$$$$