Mrv1652306031609132D          

  8  7  0  0  0  0            999 V2000
    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  3  0  0  0  0
  6  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  8  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM045406

> <DATABASE_NAME>
chemdb

> <SMILES>
CSC(SC)=NC#N

> <INCHI_IDENTIFIER>
InChI=1S/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3

> <INCHI_KEY>
IULFXBLVJIPESI-UHFFFAOYSA-N

> <FORMULA>
C4H6N2S2

> <MOLECULAR_WEIGHT>
146.23

> <EXACT_MASS>
145.997240549

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
14.52394426720807

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[bis(methylsulfanyl)methylidene](cyano)amine

> <ALOGPS_LOGP>
0.79

> <JCHEM_LOGP>
2.2679525666666667

> <ALOGPS_LOGS>
-1.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8340857263009034

> <JCHEM_POLAR_SURFACE_AREA>
36.15

> <JCHEM_REFRACTIVITY>
39.5405

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.51e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[bis(methylsulfanyl)methylidene](cyano)amine

> <JCHEM_VEBER_RULE>
1

> <NAME>
S,S-dimethyl cyanoimidodithiocarbonate

> <CAS>
10191-60-3

$$$$