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70886-56-5 molecular structure
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(2Z)-4-(methanesulfonyloxy)but-2-en-1-yl methanesulfonate

ChemBase ID: 813523
Molecular Formular: C6H12O6S2
Molecular Mass: 244.28588
Monoisotopic Mass: 244.0075301
SMILES and InChIs

SMILES:
C(/C=C\COS(=O)(=O)C)OS(=O)(=O)C
Canonical SMILES:
CS(=O)(=O)OC/C=C\COS(=O)(=O)C
InChI:
InChI=1S/C6H12O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-4H,5-6H2,1-2H3/b4-3-
InChIKey:
ROPXCSBPIJQJTK-ARJAWSKDSA-N

Cite this record

CBID:813523 http://www.chembase.cn/molecule-813523.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2Z)-4-(methanesulfonyloxy)but-2-en-1-yl methanesulfonate
IUPAC Traditional name
(2Z)-4-(methanesulfonyloxy)but-2-en-1-yl methanesulfonate
Synonyms
CIS-1,4-BIS-(METHYLSULFONYLOXY)-BUT-2-ENE
CAS Number
70886-56-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35256 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35256 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) -0.80913496  LogD (pH = 7.4) -0.80913496 
Log P -0.80913496  Molar Refractivity 50.3772 cm3
Polarizability 21.523361 Å3 Polar Surface Area 86.74 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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