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3384-01-8 molecular structure
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2-phenoxyethane-1-sulfonyl chloride

ChemBase ID: 18599
Molecular Formular: C8H9ClO3S
Molecular Mass: 220.67326
Monoisotopic Mass: 219.99609283
SMILES and InChIs

SMILES:
S(=O)(=O)(CCOc1ccccc1)Cl
Canonical SMILES:
ClS(=O)(=O)CCOc1ccccc1
InChI:
InChI=1S/C8H9ClO3S/c9-13(10,11)7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey:
ISBGBCOJYLFKKE-UHFFFAOYSA-N

Cite this record

CBID:18599 http://www.chembase.cn/molecule-18599.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenoxyethane-1-sulfonyl chloride
IUPAC Traditional name
2-phenoxyethanesulfonyl chloride
Synonyms
2-phenoxyethane-1-sulfonyl chloride
2-Phenoxy-ethanesulfonyl chloride
2-phenoxyethanesulfonyl chloride
CAS Number
3384-01-8
MDL Number
MFCD00614362
PubChem SID
160981906
PubChem CID
6486628

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6486628 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6012616  LogD (pH = 7.4) 1.6012616 
Log P 1.6012616  Molar Refractivity 50.7792 cm3
Polarizability 20.823563 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.767 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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