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166337-57-1 molecular structure
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5-methylpyridine-3-sulfonyl chloride

ChemBase ID: 814950
Molecular Formular: C6H6ClNO2S
Molecular Mass: 191.63534
Monoisotopic Mass: 190.98077712
SMILES and InChIs

SMILES:
n1cc(cc(c1)C)S(=O)(=O)Cl
Canonical SMILES:
Cc1cncc(c1)S(=O)(=O)Cl
InChI:
InChI=1S/C6H6ClNO2S/c1-5-2-6(4-8-3-5)11(7,9)10/h2-4H,1H3
InChIKey:
MSJZQOHFAWAQMR-UHFFFAOYSA-N

Cite this record

CBID:814950 http://www.chembase.cn/molecule-814950.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methylpyridine-3-sulfonyl chloride
IUPAC Traditional name
5-methylpyridine-3-sulfonyl chloride
Synonyms
5-methylpyridine-3-sulfonyl chloride
CAS Number
166337-57-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37192 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37192 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) 1.2152876  LogD (pH = 7.4) 1.2152977 
Log P 1.2152978  Molar Refractivity 43.1365 cm3
Polarizability 17.320473 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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