Mrv1652309272007482D          

 10  9  0  0  0  0            999 V2000
   -1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888   -0.3020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    0.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -0.3020    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4453   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -0.3020    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 10  4  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM026805

> <DATABASE_NAME>
chemdb

> <SMILES>
COS(=O)SSSSSN

> <INCHI_IDENTIFIER>
InChI=1S/CH5NO2S6/c1-4-10(3)9-8-7-6-5-2/h2H2,1H3

> <INCHI_KEY>
GVNHNXWRAMFPLL-UHFFFAOYSA-N

> <FORMULA>
CH5NO2S6

> <MOLECULAR_WEIGHT>
255.446

> <EXACT_MASS>
254.864452549

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
21.080161832984516

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl 5-aminopentasulfane-1-sulfinate

> <ALOGPS_LOGP>
0.45

> <JCHEM_LOGP>
2.140800136333333

> <ALOGPS_LOGS>
-1.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.9601177302662443

> <JCHEM_POLAR_SURFACE_AREA>
52.32000000000001

> <JCHEM_REFRACTIVITY>
48.3087

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.71e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 5-aminopentasulfane-1-sulfinate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Amino (methoxysulfinyl) pentasulfide

> <CAS>
198898-37-2

$$$$