Mrv0541 02241203552D          

  4  3  0  0  0  0            999 V2000
   12.8892  -14.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1265  -15.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1265  -13.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7141  -14.5133    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
M  CHG  1   4   1
M  END
> <DATABASE_ID>
BMDB0012295

> <DATABASE_NAME>
bmdb

> <SMILES>
C[S+](C)C

> <INCHI_IDENTIFIER>
InChI=1S/C3H9S/c1-4(2)3/h1-3H3/q+1

> <INCHI_KEY>
NRZWQKGABZFFKE-UHFFFAOYSA-N

> <FORMULA>
C3H9S

> <MOLECULAR_WEIGHT>
77.169

> <EXACT_MASS>
77.042495978

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
9.39795234586559

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trimethylsulfanium

> <ALOGPS_LOGP>
1.82

> <JCHEM_LOGP>
-0.07723070854261223

> <ALOGPS_LOGS>
-1.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
22.403100000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.03e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trimethylsulfonium

> <JCHEM_VEBER_RULE>
1

> <BMDB_ID>
BMDB0012295

> <GENERIC_NAME>
Trimethyl sulfonium

$$$$