Mrv1572004191602312D          

  6  6  0  0  0  0            999 V2000
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  6  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008897

> <DATABASE_NAME>
chemdb

> <SMILES>
OC1=NCCS1

> <INCHI_IDENTIFIER>
InChI=1S/C3H5NOS/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)

> <INCHI_KEY>
SLYRGJDSFOCAAI-UHFFFAOYSA-N

> <FORMULA>
C3H5NOS

> <MOLECULAR_WEIGHT>
103.14

> <EXACT_MASS>
103.009184959

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
9.57471358391696

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,5-dihydro-1,3-thiazol-2-ol

> <ALOGPS_LOGP>
-0.11

> <JCHEM_LOGP>
0.5943617421636064

> <ALOGPS_LOGS>
-0.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.428796222903248

> <JCHEM_PKA_STRONGEST_BASIC>
3.0837896403662803

> <JCHEM_POLAR_SURFACE_AREA>
32.59

> <JCHEM_REFRACTIVITY>
26.037799999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.29e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,5-dihydro-1,3-thiazol-2-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,3-thiazolidin-2-one

> <CAS>
P-97-0415

$$$$