Mrv0541 02241207442D          

  8  7  0  0  0  0            999 V2000
   -1.7869   -0.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0722   -0.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574   -0.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -0.5640    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0722   -0.1521    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7869   -0.5640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6590    0.5640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6561    0.4317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM034213

> <DATABASE_NAME>
chemdb

> <SMILES>
C\C=C\SS(O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H6O3S2/c1-2-3-7-8(4,5)6/h2-3H,1H3,(H,4,5,6)/b3-2+

> <INCHI_KEY>
RUVGQUCSWPRGRF-NSCUHMNNSA-N

> <FORMULA>
C3H6O3S2

> <MOLECULAR_WEIGHT>
154.208

> <EXACT_MASS>
153.975835438

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
13.335528267434256

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(1E)-prop-1-en-1-ylsulfanyl]sulfonic acid

> <ALOGPS_LOGP>
-0.99

> <JCHEM_LOGP>
0.7943087449999999

> <ALOGPS_LOGS>
-1.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.5513861799305468

> <JCHEM_POLAR_SURFACE_AREA>
54.370000000000005

> <JCHEM_REFRACTIVITY>
34.1555

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.57e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1E)-prop-1-en-1-ylsulfanylsulfonic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
(E)-S-1-Propenyl thiosulfate

> <SYNONYMS>
(Z)-S-1-Propenyl thiosulfate

$$$$