Mrv0541 05061312222D
6 5 0 0 0 0 999 V2000
-0.6039 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9684 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1105 0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.2539 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.5395 0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3 1 1 0 0 0 0
4 2 1 0 0 0 0
5 3 1 0 0 0 0
6 4 1 0 0 0 0
6 5 1 0 0 0 0
M END
> <DATABASE_ID>
YMDB01465
> <DATABASE_NAME>
YMDB
> <SMILES>
CSSSSC
> <INCHI_IDENTIFIER>
InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3
> <INCHI_KEY>
NPNIZCVKXVRCHF-UHFFFAOYSA-N
> <FORMULA>
C2H6S4
> <MOLECULAR_WEIGHT>
158.329
> <EXACT_MASS>
157.935232952
> <JCHEM_ACCEPTOR_COUNT>
0
> <JCHEM_AVERAGE_POLARIZABILITY>
15.117830574612995
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
0
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
dimethyltetrasulfane
> <ALOGPS_LOGP>
1.04
> <JCHEM_LOGP>
2.5390527526666666
> <ALOGPS_LOGS>
-2.25
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_POLAR_SURFACE_AREA>
0
> <JCHEM_REFRACTIVITY>
38.6588
> <JCHEM_ROTATABLE_BOND_COUNT>
3
> <JCHEM_RULE_OF_FIVE>
1
> <ALOGPS_SOLUBILITY>
8.89e-01 g/l
> <JCHEM_TRADITIONAL_IUPAC>
dimethyltetrasulfane
> <JCHEM_VEBER_RULE>
1
> <YMDB_ID>
YMDB01465
> <GENERIC_NAME>
dimethyltetrasulfide
> <SYNONYMS>
1,4-Dimethyltetrasulfane; 1,4-Dimethyltetrasulfide; Dimethyl tetrasulfide; Dimethyl tetrasulphide
$$$$