Mrv1572004191601272D          

 10  9  0  0  0  0            999 V2000
   -0.1588    1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2702   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8732    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1588   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1588    0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557   -0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1588   -1.5583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8732   -0.3208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1559    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  7  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  2  0  0  0  0
  9  4  1  0  0  0  0
  9  5  1  0  0  0  0
M  RAD  1   4   2
M  END
> <DATABASE_ID>
CHEM004549

> <DATABASE_NAME>
chemdb

> <SMILES>
[Na].CN1[CH]SC(=S)N(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C5H9N2S2.Na/c1-6-3-7(2)5(8)9-4-6;/h4H,3H2,1-2H3;

> <INCHI_KEY>
HXMSZOJIJRVPOX-UHFFFAOYSA-N

> <FORMULA>
C5H9N2NaS2

> <MOLECULAR_WEIGHT>
184.25

> <EXACT_MASS>
184.01048493

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
16.860540243736196

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,5-dimethyl-6-sulfanylidene-1,3,5-thiadiazinan-2-yl sodium

> <ALOGPS_LOGP>
0.48

> <JCHEM_LOGP>
1.8674453773333333

> <ALOGPS_LOGS>
-1.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.922822886362948

> <JCHEM_POLAR_SURFACE_AREA>
6.48

> <JCHEM_REFRACTIVITY>
46.1533

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.08e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,5-dimethyl-6-sulfanylidene-1,3,5-thiadiazinan-2-yl sodium

> <JCHEM_VEBER_RULE>
1

> <NAME>
Dazomet, sodium salt

> <CAS>
53404-60-7

> <SYNONYMS>
Tetrahydro-3,5-dimethyl-2H-1,3,5-thiadiazine-2-thione,

$$$$