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150020-64-7 molecular structure
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6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride

ChemBase ID: 86649
Molecular Formular: C5H2Cl2N2O2S2
Molecular Mass: 257.11758
Monoisotopic Mass: 255.89347467
SMILES and InChIs

SMILES:
n12c(c(nc1scc2)Cl)S(=O)(=O)Cl
Canonical SMILES:
Clc1nc2n(c1S(=O)(=O)Cl)ccs2
InChI:
InChI=1S/C5H2Cl2N2O2S2/c6-3-4(13(7,10)11)9-1-2-12-5(9)8-3/h1-2H
InChIKey:
APRATEMYDZDYJD-UHFFFAOYSA-N

Cite this record

CBID:86649 http://www.chembase.cn/molecule-86649.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride
IUPAC Traditional name
6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride
Synonyms
6-Chloroimidazo[2,1-b]thiazole-5-sulfonyl chloride
6-Chloroimidazo[2,1-b][1,3]thiazole-5-sulphonyl chloride
6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride
CAS Number
150020-64-7
MDL Number
MFCD00205139
PubChem SID
162073765
PubChem CID
2799717

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6530665  LogD (pH = 7.4) 1.6530666 
Log P 1.6530666  Molar Refractivity 62.826 cm3
Polarizability 20.368994 Å3 Polar Surface Area 51.44 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
138-140°C expand Show data source
Hydrophobicity(logP)
-0.274 expand Show data source
Storage Warning
Corrosive expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3261 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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