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7484-34-6 molecular structure
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2-[2-(2-hydroxyethanesulfonyl)ethanesulfonyl]ethan-1-ol

ChemBase ID: 294830
Molecular Formular: C6H14O6S2
Molecular Mass: 246.30176
Monoisotopic Mass: 246.02318017
SMILES and InChIs

SMILES:
O=S(=O)(CCS(=O)(=O)CCO)CCO
Canonical SMILES:
OCCS(=O)(=O)CCS(=O)(=O)CCO
InChI:
InChI=1S/C6H14O6S2/c7-1-3-13(9,10)5-6-14(11,12)4-2-8/h7-8H,1-6H2
InChIKey:
ZXTWNSRETGZRGO-UHFFFAOYSA-N

Cite this record

CBID:294830 http://www.chembase.cn/molecule-294830.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(2-hydroxyethanesulfonyl)ethanesulfonyl]ethan-1-ol
IUPAC Traditional name
2-[2-(2-hydroxyethanesulfonyl)ethanesulfonyl]ethanol
Synonyms
2,2'-(Ethane-1,2-diyldisulfonyl)diethanol
CAS Number
7484-34-6
PubChem SID
180680361
PubChem CID
303512

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD264499 Please log in.
Data Source Data ID
PubChem 303512 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.596001  H Acceptors
H Donor LogD (pH = 5.5) -3.5449157 
LogD (pH = 7.4) -3.5449157  Log P -3.5449157 
Molar Refractivity 49.6952 cm3 Polarizability 21.646849 Å3
Polar Surface Area 108.74 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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