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90429-62-2 molecular structure
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8-methoxyquinoline-5-sulfonyl chloride

ChemBase ID: 72231
Molecular Formular: C10H8ClNO3S
Molecular Mass: 257.69342
Monoisotopic Mass: 256.9913418
SMILES and InChIs

SMILES:
S(=O)(=O)(c1c2c(nccc2)c(cc1)OC)Cl
Canonical SMILES:
COc1ccc(c2c1nccc2)S(=O)(=O)Cl
InChI:
InChI=1S/C10H8ClNO3S/c1-15-8-4-5-9(16(11,13)14)7-3-2-6-12-10(7)8/h2-6H,1H3
InChIKey:
CDUVKSFUNYBONL-UHFFFAOYSA-N

Cite this record

CBID:72231 http://www.chembase.cn/molecule-72231.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-methoxyquinoline-5-sulfonyl chloride
IUPAC Traditional name
8-methoxyquinoline-5-sulfonyl chloride
Synonyms
8-Methoxyquinoline-5-sulfonyl chloride
8-Methoxyquinoline-5-sulphonyl chloride
CAS Number
90429-62-2
MDL Number
MFCD02752892
PubChem SID
162037332
PubChem CID
3614658

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3614658 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9195312  LogD (pH = 7.4) 1.9195322 
Log P 1.9195322  Molar Refractivity 60.6367 cm3
Polarizability 25.510422 Å3 Polar Surface Area 56.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
88 - 90°C expand Show data source
Hydrophobicity(logP)
0.352 expand Show data source
Storage Warning
Corrosive expand Show data source
IRRITANT expand Show data source
MSDS Link
Download 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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