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166964-35-8 molecular structure
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4-bromo-5-chlorothiophene-2-sulfonyl chloride

ChemBase ID: 10343
Molecular Formular: C4HBrCl2O2S2
Molecular Mass: 295.98954
Monoisotopic Mass: 293.79783863
SMILES and InChIs

SMILES:
s1c(c(cc1S(=O)(=O)Cl)Br)Cl
Canonical SMILES:
Brc1cc(sc1Cl)S(=O)(=O)Cl
InChI:
InChI=1S/C4HBrCl2O2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H
InChIKey:
PABOKJJDABSQCK-UHFFFAOYSA-N

Cite this record

CBID:10343 http://www.chembase.cn/molecule-10343.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-5-chlorothiophene-2-sulfonyl chloride
IUPAC Traditional name
4-bromo-5-chlorothiophene-2-sulfonyl chloride
Synonyms
3-Bromo-2-chlorothiophene-5-sulfonyl chloride
3-Bromo-2-chlorothiophene-5-sulphonyl chloride
4-bromo-5-chlorothiophene-2-sulfonyl chloride
CAS Number
166964-35-8
MDL Number
MFCD00052094
PubChem SID
160973650
PubChem CID
2797220

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4047801  LogD (pH = 7.4) 3.4047801 
Log P 3.4047801  Molar Refractivity 48.1054 cm3
Polarizability 20.425684 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
63-65°C expand Show data source
Storage Warning
Corrosive/Store under Nitrogen expand Show data source
MOISTURE SENSITIVE, CORROSIVE expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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