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923032-59-1 molecular structure
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1-(prop-2-en-1-yl)cyclopropane-1-sulfonyl chloride

ChemBase ID: 159681
Molecular Formular: C6H9ClO2S
Molecular Mass: 180.65246
Monoisotopic Mass: 180.00117821
SMILES and InChIs

SMILES:
C(=C)CC1(CC1)S(=O)(=O)Cl
Canonical SMILES:
C=CCC1(CC1)S(=O)(=O)Cl
InChI:
InChI=1S/C6H9ClO2S/c1-2-3-6(4-5-6)10(7,8)9/h2H,1,3-5H2
InChIKey:
AQYNREAFYINZPS-UHFFFAOYSA-N

Cite this record

CBID:159681 http://www.chembase.cn/molecule-159681.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(prop-2-en-1-yl)cyclopropane-1-sulfonyl chloride
IUPAC Traditional name
1-(prop-2-en-1-yl)cyclopropane-1-sulfonyl chloride
Synonyms
1-(2-Propen-1-yl)cyclopropanesulfonyl Chloride
1-Allylcyclopropane-1-sulfonyl Chloride
CAS Number
923032-59-1
PubChem SID
162253816
PubChem CID
44181959

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 44181959 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6708347  LogD (pH = 7.4) 1.6708347 
Log P 1.6708347  Molar Refractivity 41.4931 cm3
Polarizability 16.948097 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chlroform expand Show data source
Apperance
Yellow Oil expand Show data source
Storage Condition
Hygroscopic, Refrigerator, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A549700 external link
A MEK inhibitors; useful in the treatment of cancer and other hyperproliferative diseases.

REFERENCES

REFERENCES

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  • • LI, C., et al.: J. Med. Chem., 38, 4897 (1995)
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PATENTS

PATENTS

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INTERNET

INTERNET

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