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103654-84-8 molecular structure
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2-(morpholin-4-yl)ethane-1-sulfonyl chloride

ChemBase ID: 814266
Molecular Formular: C6H12ClNO3S
Molecular Mass: 213.68238
Monoisotopic Mass: 213.02264193
SMILES and InChIs

SMILES:
C(CN1CCOCC1)S(=O)(=O)Cl
Canonical SMILES:
ClS(=O)(=O)CCN1CCOCC1
InChI:
InChI=1S/C6H12ClNO3S/c7-12(9,10)6-3-8-1-4-11-5-2-8/h1-6H2
InChIKey:
RUUFMPJNYPOJHB-UHFFFAOYSA-N

Cite this record

CBID:814266 http://www.chembase.cn/molecule-814266.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(morpholin-4-yl)ethane-1-sulfonyl chloride
IUPAC Traditional name
2-(morpholin-4-yl)ethanesulfonyl chloride
Synonyms
2-morpholinoethanesulfonyl chloride
CAS Number
103654-84-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36424 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36424 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) -0.2520171  LogD (pH = 7.4) -0.24276324 
Log P -0.24264397  Molar Refractivity 47.3206 cm3
Polarizability 19.481789 Å3 Polar Surface Area 46.61 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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