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21863-51-4 molecular structure
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6-methylquinoline-8-sulfonyl chloride

ChemBase ID: 258531
Molecular Formular: C10H8ClNO2S
Molecular Mass: 241.69402
Monoisotopic Mass: 240.99642718
SMILES and InChIs

SMILES:
S(=O)(=O)(c1c2c(cc(c1)C)cccn2)Cl
Canonical SMILES:
Cc1cc2cccnc2c(c1)S(=O)(=O)Cl
InChI:
InChI=1S/C10H8ClNO2S/c1-7-5-8-3-2-4-12-10(8)9(6-7)15(11,13)14/h2-6H,1H3
InChIKey:
JZXUJBAZGSPYJP-UHFFFAOYSA-N

Cite this record

CBID:258531 http://www.chembase.cn/molecule-258531.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methylquinoline-8-sulfonyl chloride
IUPAC Traditional name
6-methylquinoline-8-sulfonyl chloride
Synonyms
6-methylquinoline-8-sulfonyl chloride
6-methyl-8-quinolinesulfonyl chloride
CAS Number
21863-51-4
MDL Number
MFCD09814215
PubChem SID
164314441
PubChem CID
13008155

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13008155 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5906234  LogD (pH = 7.4) 2.5906248 
Log P 2.5906248  Molar Refractivity 59.2147 cm3
Polarizability 24.730274 Å3 Polar Surface Area 47.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
151 - 153°C expand Show data source
Hydrophobicity(logP)
0.556 expand Show data source
Purity
95% expand Show data source
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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