10444
  Mrv0541 02241223112D          

  5  5  0  0  0  0            999 V2000
    1.9049    0.8905    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174   -0.3790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848    0.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7299    0.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <DATABASE_ID>
YMDB01400

> <DATABASE_NAME>
YMDB

> <SMILES>
C1CSCN1

> <INCHI_IDENTIFIER>
InChI=1S/C3H7NS/c1-2-5-3-4-1/h4H,1-3H2

> <INCHI_KEY>
OGYGFUAIIOPWQD-UHFFFAOYSA-N

> <FORMULA>
C3H7NS

> <MOLECULAR_WEIGHT>
89.159

> <EXACT_MASS>
89.029919919

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
9.49288275094878

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3-thiazolidine

> <ALOGPS_LOGP>
-0.41

> <JCHEM_LOGP>
0.07332284233333337

> <ALOGPS_LOGS>
0.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.602295232751688

> <JCHEM_POLAR_SURFACE_AREA>
12.03

> <JCHEM_REFRACTIVITY>
24.994199999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.11e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
thiazolidine

> <JCHEM_VEBER_RULE>
1

> <YMDB_ID>
YMDB01400

> <GENERIC_NAME>
thiazolidine

> <SYNONYMS>
1-Thia-3-azacyclopentane; 1,3-Thiazolidine; N-Nitroso-1,3-thiazolidine; N-Nitrosothiazolidine; Tetrahydrothiazole; thiazolidine

$$$$