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592-85-8 molecular structure
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bis(cyanosulfanyl)mercury

ChemBase ID: 130538
Molecular Formular: C2HgN2S2
Molecular Mass: 316.7548
Monoisotopic Mass: 317.92093301
SMILES and InChIs

SMILES:
C(#N)S[Hg]SC#N
Canonical SMILES:
N#CS[Hg]SC#N
InChI:
InChI=1S/2CHNS.Hg/c2*2-1-3;/h2*3H;/q;;+2/p-2
InChIKey:
GBZANUMDJPCQHY-UHFFFAOYSA-L

Cite this record

CBID:130538 http://www.chembase.cn/molecule-130538.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(cyanosulfanyl)mercury
IUPAC Traditional name
mercuric thiocyanate
Synonyms
Mercury di(thiocyanate)
Thiocyanic acid, mercury(II) salt
Mercury(II) thiocyanate
Mercuric isothiocyanate
Mercuric sulfocyanide
Mercuric thiocyanate
硫氰酸汞
硫氰酸汞(II)
CAS Number
592-85-8
EC Number
209-773-0
MDL Number
MFCD00011039
Beilstein Number
3561344
PubChem SID
24896904
162224816
24871785
24887939
PubChem CID
16685035

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16685035 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.3092  LogD (pH = 7.4) 0.3092 
Log P 0.3092  Molar Refractivity 28.8982 cm3
Polarizability 17.981943 Å3 Polar Surface Area 47.58 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder expand Show data source
Melting Point
165 °C (dec.)(lit.) expand Show data source
Flash Point
120 °C expand Show data source
248 °F expand Show data source
Density
3.71 g/mL at 25 °C(lit.) expand Show data source
RTECS
XL1550000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
1646 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
26/27/28-32-33-50/53 expand Show data source
26/27/28-33-50/53 expand Show data source
Safety Statements
13-28-45-60-61 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300 +H310 + H330-H373-H410 expand Show data source
GHS Precautionary statements
P260-P264-P273-P280-P284-P301 + P310 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1646 6.1/PG 2 expand Show data source
Purity
≥97.0% (precipitation titration) expand Show data source
≥99.0% expand Show data source
96.5-103.5% (titration) expand Show data source
98% expand Show data source
99.99% trace metals basis expand Show data source
Grade
JIS special grade expand Show data source
purum p.a. expand Show data source
Cation Traces
Ca: ≤50 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
K: ≤1000 mg/kg expand Show data source
Na: ≤100 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Linear Formula
Hg(SCN)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 208132 external link
Application
Increasing interest in solid state NMR of heavy-metal nuclei results in the preparation of several Hg-thiocyanate and selenocyanate compounds as potential models.1
Sigma Aldrich - 481823 external link
Packaging
5 g in amber poly
Application
Increasing interest in solid state NMR of heavy-metal nuclei results in the preparation of several Hg-thiocyanate and selenocyanate compounds as potential models.1
Sigma Aldrich - M4128 external link
Application
Catalyst for addition of HSCN to alkynes.
包装
25, 100, 250 g in glass bottle
Quality
含少量不溶于稀酸的硫氰酸亚汞。
Sigma Aldrich - 83374 external link
Application
Catalyst for addition of HSCN to alkynes.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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