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51275-92-4 molecular structure
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2,3-dichloro-1$l^{6}-thiolane-1,1-dione

ChemBase ID: 110699
Molecular Formular: C4H6Cl2O2S
Molecular Mass: 189.06024
Monoisotopic Mass: 187.94655579
SMILES and InChIs

SMILES:
ClC1CCS(=O)(=O)C1Cl
Canonical SMILES:
ClC1CCS(=O)(=O)C1Cl
InChI:
InChI=1S/C4H6Cl2O2S/c5-3-1-2-9(7,8)4(3)6/h3-4H,1-2H2
InChIKey:
JSKODJXQVLISPT-UHFFFAOYSA-N

Cite this record

CBID:110699 http://www.chembase.cn/molecule-110699.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dichloro-1$l^{6}-thiolane-1,1-dione
IUPAC Traditional name
2,3-dichloro-1$l^{6}-thiolane-1,1-dione
Synonyms
2,3-DICHLOROSULFOLANE
CAS Number
51275-92-4
PubChem SID
162096954
PubChem CID
142835

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05215963 external link Add to cart Please log in.
Data Source Data ID
PubChem 142835 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.68195057  LogD (pH = 7.4) 0.68195057 
Log P 0.68195057  Molar Refractivity 36.2852 cm3
Polarizability 15.45339 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05215963 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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