Home > Compound List > Compound details
120164-05-8 molecular structure
click picture or here to close

8-methylquinoline-5-sulfonyl chloride

ChemBase ID: 254138
Molecular Formular: C10H8ClNO2S
Molecular Mass: 241.69402
Monoisotopic Mass: 240.99642718
SMILES and InChIs

SMILES:
S(=O)(=O)(c1c2c(nccc2)c(cc1)C)Cl
Canonical SMILES:
Cc1ccc(c2c1nccc2)S(=O)(=O)Cl
InChI:
InChI=1S/C10H8ClNO2S/c1-7-4-5-9(15(11,13)14)8-3-2-6-12-10(7)8/h2-6H,1H3
InChIKey:
JQSKUQBKUDCALN-UHFFFAOYSA-N

Cite this record

CBID:254138 http://www.chembase.cn/molecule-254138.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-methylquinoline-5-sulfonyl chloride
IUPAC Traditional name
8-methylquinoline-5-sulfonyl chloride
Synonyms
8-methylquinoline-5-sulfonyl chloride
CAS Number
120164-05-8
MDL Number
MFCD09042561
PubChem SID
164310048
PubChem CID
14224770

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-28809 external link Add to cart Please log in.
Data Source Data ID
PubChem 14224770 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5905714  LogD (pH = 7.4) 2.5906243 
Log P 2.5906248  Molar Refractivity 59.2147 cm3
Polarizability 24.730555 Å3 Polar Surface Area 47.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.556 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle