Mrv1572004221604252D          

 10  9  0  0  0  0            999 V2000
    2.9684    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    0.4125    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
    5.1118    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017991

> <DATABASE_NAME>
chemdb

> <SMILES>
SCCOCCOCCS

> <INCHI_IDENTIFIER>
InChI=1S/C6H14O2S2/c9-5-3-7-1-2-8-4-6-10/h9-10H,1-6H2

> <INCHI_KEY>
HCZMHWVFVZAHCR-UHFFFAOYSA-N

> <FORMULA>
C6H14O2S2

> <MOLECULAR_WEIGHT>
182.3

> <EXACT_MASS>
182.043522039

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
20.805898685514343

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[2-(2-sulfanylethoxy)ethoxy]ethane-1-thiol

> <ALOGPS_LOGP>
0.94

> <JCHEM_LOGP>
0.8882937746666664

> <ALOGPS_LOGS>
-2.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.268260319281849

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.666200327952883

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8433773259910846

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
49.0058

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.09e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol

> <JCHEM_VEBER_RULE>
1

> <NAME>
2,2'-[Ethane-1,2-diylbis(oxy)]diethanethiol

> <CAS>
14970-87-7

> <SYNONYMS>
2-[2-(2-sulfanylethoxy)ethoxy]ethane-1-thiol

$$$$