bis(cyanosulfanyl)plumbane

• ChemBase ID: 138220
• Molecular Formular: C2N2PbS2
• Molecular Mass: 323.3648
• Monoisotopic Mass: 323.92694201
• SMILES: C(#N)S[Pb]SC#N
• Canonical SMILES: N#CS[Pb]SC#N
• InChI: InChI=1S/2CHNS.Pb/c2*2-1-3;/h2*3H;/q;;+2/p-2
• InChIKey: VRNINGUKUJWZTH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(cyanosulfanyl)plumbane
• IUPAC Traditional name: lead thiocyanate
• Synonyms: Lead sulfocyanide; Lead(II) rhodanide; Plumbous thiocyanate; Lead(II) thiocyanate; 硫氰化铅(II); 硫氰酸铅; 硫氰酸铅(II)

Database IDs

• CAS Number: 592-87-0
• EC Number: 209-774-6
• MDL Number: MFCD00011155
• Beilstein Number: 3687984
• PubChem SID: 24852505; 162232478; 24877673
• PubChem CID: 516874

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0392
• LogD (pH = 7.4): 1.0392
• Log P: 1.0392
• Molar Refractivity: 28.8982 cm^3
• Polarizability: 18.152597 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 °C (dec.)(lit.)
• Density: 3.82 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2291
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 61-20/21/22.1-32-33-50/53-62; 61-20/21/22-32-33-50/53-62
• Safety Statements: 53.1-13-45-60-61; 53-13-45-60-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H332-H360-H373-H410
• GHS Precautionary statements: P201-P273-P280-P308 + P313-P501
• RID/ADR: UN 2291 6.1/PG 3
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Purity: 99.5% trace metals basis; 99.99%
• Linear Formula: Pb(SCN)2

DETAILS

Sigma Aldrich - 208302

Packaging
100, 500 g in poly bottle