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1072-71-5 molecular structure
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1,3,4-thiadiazole-2,5-dithiol

ChemBase ID: 35465
Molecular Formular: C2H2N2S3
Molecular Mass: 150.24568
Monoisotopic Mass: 149.93801107
SMILES and InChIs

SMILES:
s1c(nnc1S)S
Canonical SMILES:
Sc1nnc(s1)S
InChI:
InChI=1S/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)
InChIKey:
BIGYLAKFCGVRAN-UHFFFAOYSA-N

Cite this record

CBID:35465 http://www.chembase.cn/molecule-35465.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3,4-thiadiazole-2,5-dithiol
IUPAC Traditional name
1,3,4-thiadiazole-2,5-dithiol
Synonyms
Bismuththiol I
1,3,4-Thiadiazole-2,5-dithiol
1,3,4-Thiadiazole-2,5-dithiol
1,3,4-Thiadiazole-2,5-dithiol
Bismuthiol I
2,5-Dimercapto-1,3,4-thiadiazole
Bismuthiol I
2,5-Dimercapto-1,3,4-thiadiazole
2,5-二巯基噻二唑
2,5-二硫基-1,3,4-噻二唑
铋试剂 I
2,5-二硫基-1,3,4-噻二唑
铋试剂 I
2,5-二巯基-1,3,4-噻二唑
CAS Number
1072-71-5
EC Number
214-014-1
MDL Number
MFCD00003103
Beilstein Number
113444
PubChem SID
160998772
24893399
24849080
PubChem CID
2723630

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.7661357  H Acceptors
H Donor LogD (pH = 5.5) 1.1221135 
LogD (pH = 7.4) -0.19579072  Log P 1.3032063 
Molar Refractivity 36.3554 cm3 Polarizability 13.475303 Å3
Polar Surface Area 25.78 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
161-164(dec.)°C expand Show data source
162 °C (dec.)(lit.) expand Show data source
ca 162°C dec. expand Show data source
Storage Warning
Harmful/Irritant/Stench/Keep Cold expand Show data source
IRRITANT expand Show data source
RTECS
XI3850000 expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) 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
2 expand Show data source
Risk Statements
22-37/38-41 expand Show data source
36 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H315-H335-H318 expand Show data source
H319 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99.0% expand Show data source
≥99.0% (HPLC) expand Show data source
98% expand Show data source
Cation Traces
Bi: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤10 mg/kg expand Show data source
Mn: ≤10 mg/kg expand Show data source
Mo: ≤10 mg/kg expand Show data source
Ni: ≤10 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Quality
for spectrophotometric det. of Bi, Cu, Pb, Sb expand Show data source
Empirical Formula (Hill Notation)
C2H2N2S3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D129003 external link
Application
Reagent for the determination of bismuth, copper and lead.
Packaging
100 g in glass bottle
Sigma Aldrich - 15100 external link
General description
Visit our Titration Center to learn more.
Other Notes
Determination of bismuth and palladium1,2,3

REFERENCES

REFERENCES

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  • • Reagent for bismuth.
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PATENTS

PATENTS

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INTERNET

INTERNET

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