Home > Compound List > Compound details
134419-59-3 molecular structure
click picture or here to close

methyl oxane-4-sulfonate

ChemBase ID: 297241
Molecular Formular: C6H12O4S
Molecular Mass: 180.22208
Monoisotopic Mass: 180.04562986
SMILES and InChIs

SMILES:
S(=O)(=O)(C1CCOCC1)OC
Canonical SMILES:
COS(=O)(=O)C1CCOCC1
InChI:
InChI=1S/C6H12O4S/c1-9-11(7,8)6-2-4-10-5-3-6/h6H,2-5H2,1H3
InChIKey:
YYQNKBSSIIDBIM-UHFFFAOYSA-N

Cite this record

CBID:297241 http://www.chembase.cn/molecule-297241.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl oxane-4-sulfonate
IUPAC Traditional name
methyl oxane-4-sulfonate
Synonyms
4-Tetrahydropyranyl methanesulfonate
CAS Number
134419-59-3
MDL Number
MFCD11505063
PubChem SID
180682772
PubChem CID
9855641

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
H34026 external link Add to cart Please log in.
Data Source Data ID
PubChem 9855641 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.3168483  LogD (pH = 7.4) -0.3168483 
Log P -0.3168483  Molar Refractivity 39.7369 cm3
Polarizability 16.74008 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle