Mrv0541 02241204582D          

  7  6  0  0  0  0            999 V2000
    1.7605   -1.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.8414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -1.4289    0.0000 Pb  0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -1.8414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -1.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
M  END
> <DATABASE_ID>
T3D0786

> <DATABASE_NAME>
t3db

> <SMILES>
N#CS[Pb]SC#N

> <INCHI_IDENTIFIER>
InChI=1S/2CHNS.Pb/c2*2-1-3;/h2*3H;/q;;+2/p-2

> <INCHI_KEY>
VRNINGUKUJWZTH-UHFFFAOYSA-L

> <FORMULA>
C2N2PbS2

> <MOLECULAR_WEIGHT>
323.4

> <EXACT_MASS>
323.92692524

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
12.113901699504995

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(cyanosulfanyl)plumbane

> <ALOGPS_LOGP>
0.53

> <JCHEM_LOGP>
1.0392000000000003

> <ALOGPS_LOGS>
-1.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
47.58

> <JCHEM_REFRACTIVITY>
28.8982

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.48e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lead thiocyanate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0786

> <NAME>
Lead thiocyanate

> <CAS>
592-87-0

> <SYNONYMS>
Isothiocyanic acid, lead(2+) salt; Lead dithiocyanate; Lead isothiocyanate; Lead sulfocyanate; Lead thiocyanic acid; Lead(II) thiocyanate; Pb(SCN)2; Thiocyanic acid, lead(2+) salt

> <TYPES>
Inorganic Compound; Lead Compound; Organic Compound; Cyanide Compound; Nitrile; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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