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12135-76-1 molecular structure
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diammonium sulfanediide

ChemBase ID: 125839
Molecular Formular: N2S
Molecular Mass: 60.0784
Monoisotopic Mass: 59.97821901
SMILES and InChIs

SMILES:
[SH2-2].[NH4+].[NH4+]
Canonical SMILES:
[NH4+].[NH4+].[SH2-2]
InChI:
InChI=1S/2H3N.S/h2*1H3;/q;;-2/p+2
InChIKey:
UYJXRRSPUVSSMN-UHFFFAOYSA-P

Cite this record

CBID:125839 http://www.chembase.cn/molecule-125839.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diammonium sulfanediide
IUPAC Traditional name
diammonium sulfanediide
Synonyms
Ammonium sulfide
Diammonium sulfide
Ammonium sulfide
硫化铵
CAS Number
12135-76-1
EC Number
235-223-4
MDL Number
MFCD00010892
PubChem SID
162220184
PubChem CID
25519
Chemspider ID
23808
Unique Ingredient Identifier
2H0Q32TDFZ
Wikipedia Title
Ammonium_sulfide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.7525723  LogD (pH = 7.4) -2.4393091 
Log P -0.978  Molar Refractivity 16.3149 cm3
Polarizability 2.1934314 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
128.1 g/100 mL in water expand Show data source
soluble in alcohol
very soluble in liquid ammonia
expand Show data source
Apperance
Liquid expand Show data source
yellow crystals (> -18 °C)
hygroscopic
expand Show data source
Melting Point
decomposes at ambient temperatures expand Show data source
Flash Point
32.22 °C expand Show data source
Density
0.997 expand Show data source
0.997 g/cm3 expand Show data source
RTECS
BS4900000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Corrosive (C) expand Show data source
Dangerous for the environment (N) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
UN Number
2683 (solution) expand Show data source
UN2683 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
10-31-34-50 expand Show data source
R31, R34, R50 expand Show data source
Safety Statements
20-23-26-36/37/39-45-57 expand Show data source
S1/2, S26, S45, S61 expand Show data source
TSCA Listed
expand Show data source
EU Index
016-008-00-2 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS09 expand Show data source
NFPA704
NFPA 704 diagram
3
3
0
expand Show data source
GHS Hazard statements
H314-H318-H226-H400 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
Purity
20-24% aq. soln. expand Show data source
40-44% w/w aq. soln. expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • A simple procedure has been described for the synthesis of primary thioamides from nitriles with the reagent in methanol, giving much higher yields than NaSH. The reaction is greatly accelerated by microwave irradiation: Synlett, 2615 (2004).
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PATENTS

PATENTS

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INTERNET

INTERNET

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