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10351-06-1 molecular structure
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tetrachloropyridine-4-thiol

ChemBase ID: 144889
Molecular Formular: C5HCl4NS
Molecular Mass: 248.94514
Monoisotopic Mass: 246.85838076
SMILES and InChIs

SMILES:
c1(c(c(nc(c1Cl)Cl)Cl)Cl)S
Canonical SMILES:
Clc1nc(Cl)c(c(c1Cl)S)Cl
InChI:
InChI=1S/C5HCl4NS/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)
InChIKey:
LVUQDNJRAHUUSB-UHFFFAOYSA-N

Cite this record

CBID:144889 http://www.chembase.cn/molecule-144889.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrachloropyridine-4-thiol
IUPAC Traditional name
tetrachloropyridine-4-thiol
Synonyms
2,3,5,6-Tetrachloro-4-pyridinethiol
2,3,5,6-四氯-4-吡啶硫醇
CAS Number
10351-06-1
EC Number
233-764-0
MDL Number
MFCD00006231
PubChem SID
162239101
PubChem CID
3034212

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
324159 external link Add to cart Please log in.
Data Source Data ID
PubChem 3034212 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7586513  H Acceptors
H Donor LogD (pH = 5.5) 2.4427147 
LogD (pH = 7.4) 2.2816129  Log P 3.7053137 
Molar Refractivity 53.2527 cm3 Polarizability 20.429213 Å3
Polar Surface Area 12.89 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
165-166 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C5HCl4NS expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 324159 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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