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52665-49-3 molecular structure
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furan-3-sulfonyl chloride

ChemBase ID: 92505
Molecular Formular: C4H3ClO3S
Molecular Mass: 166.58282
Monoisotopic Mass: 165.94914264
SMILES and InChIs

SMILES:
o1cc(cc1)S(=O)(=O)Cl
Canonical SMILES:
ClS(=O)(=O)c1cocc1
InChI:
InChI=1S/C4H3ClO3S/c5-9(6,7)4-1-2-8-3-4/h1-3H
InChIKey:
PCBBEIXTVWWTAK-UHFFFAOYSA-N

Cite this record

CBID:92505 http://www.chembase.cn/molecule-92505.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
furan-3-sulfonyl chloride
IUPAC Traditional name
furan-3-sulfonyl chloride
Synonyms
furan-3-sulfonyl chloride
3-(Chlorosulphonyl)furan
Furan-3-sulphonyl chloride 97%
CAS Number
52665-49-3
MDL Number
MFCD08271875
PubChem SID
162079203
PubChem CID
22179302

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22179302 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0597943  LogD (pH = 7.4) 1.0597943 
Log P 1.0597943  Molar Refractivity 32.7656 cm3
Polarizability 13.457073 Å3 Polar Surface Area 47.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.654 expand Show data source
Storage Warning
Corrosive/Store under Argon 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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