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1025509-76-5 molecular structure
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2,6-dimethylpyridine-4-sulfonyl chloride

ChemBase ID: 815420
Molecular Formular: C7H8ClNO2S
Molecular Mass: 205.66192
Monoisotopic Mass: 204.99642718
SMILES and InChIs

SMILES:
n1c(cc(cc1C)S(=O)(=O)Cl)C
Canonical SMILES:
Cc1cc(cc(n1)C)S(=O)(=O)Cl
InChI:
InChI=1S/C7H8ClNO2S/c1-5-3-7(12(8,10)11)4-6(2)9-5/h3-4H,1-2H3
InChIKey:
UHFNEOYZKVGGDV-UHFFFAOYSA-N

Cite this record

CBID:815420 http://www.chembase.cn/molecule-815420.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dimethylpyridine-4-sulfonyl chloride
IUPAC Traditional name
2,6-dimethylpyridine-4-sulfonyl chloride
Synonyms
2,6-dimethylpyridine-4-sulfonyl chloride
CAS Number
1025509-76-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37713 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37713 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.964114  LogD (pH = 7.4) 0.9646104 
Log P 0.9646168  Molar Refractivity 47.2783 cm3
Polarizability 19.069992 Å3 Polar Surface Area 47.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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