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1196155-54-0 molecular structure
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2-cyclopropylethane-1-sulfonyl chloride

ChemBase ID: 242483
Molecular Formular: C5H9ClO2S
Molecular Mass: 168.64176
Monoisotopic Mass: 168.00117821
SMILES and InChIs

SMILES:
S(=O)(=O)(Cl)CCC1CC1
Canonical SMILES:
ClS(=O)(=O)CCC1CC1
InChI:
InChI=1S/C5H9ClO2S/c6-9(7,8)4-3-5-1-2-5/h5H,1-4H2
InChIKey:
QJVYBAAMABSOKJ-UHFFFAOYSA-N

Cite this record

CBID:242483 http://www.chembase.cn/molecule-242483.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-cyclopropylethane-1-sulfonyl chloride
IUPAC Traditional name
2-cyclopropylethanesulfonyl chloride
Synonyms
2-cyclopropylethane-1-sulfonyl chloride
2-cyclopropylethanesulfonyl chloride
CAS Number
1196155-54-0
MDL Number
MFCD13190121
PubChem SID
164298393
PubChem CID
55279594

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 55279594 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1044042  LogD (pH = 7.4) 1.1044042 
Log P 1.1044042  Molar Refractivity 36.847 cm3
Polarizability 15.380192 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.169 expand Show data source
Purity
95% expand Show data source
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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