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372198-42-0 molecular structure
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4-methylpyridine-3-sulfonyl chloride

ChemBase ID: 815082
Molecular Formular: C6H6ClNO2S
Molecular Mass: 191.63534
Monoisotopic Mass: 190.98077712
SMILES and InChIs

SMILES:
n1cc(c(cc1)C)S(=O)(=O)Cl
Canonical SMILES:
Cc1ccncc1S(=O)(=O)Cl
InChI:
InChI=1S/C6H6ClNO2S/c1-5-2-3-8-4-6(5)11(7,9)10/h2-4H,1H3
InChIKey:
OPYAPMZPZXAVTG-UHFFFAOYSA-N

Cite this record

CBID:815082 http://www.chembase.cn/molecule-815082.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methylpyridine-3-sulfonyl chloride
IUPAC Traditional name
4-methylpyridine-3-sulfonyl chloride
Synonyms
4-methylpyridine-3-sulfonyl chloride
CAS Number
372198-42-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37336 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37336 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) 1.2152473  LogD (pH = 7.4) 1.2152972 
Log P 1.2152978  Molar Refractivity 43.1365 cm3
Polarizability 17.320017 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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