Home > Compound List > Compound details
623-98-3 molecular structure
click picture or here to close

dipropyl sulfite

ChemBase ID: 302266
Molecular Formular: C6H14O3S
Molecular Mass: 166.23856
Monoisotopic Mass: 166.06636531
SMILES and InChIs

SMILES:
CCCOS(=O)OCCC
Canonical SMILES:
CCCOS(=O)OCCC
InChI:
InChI=1S/C6H14O3S/c1-3-5-8-10(7)9-6-4-2/h3-6H2,1-2H3
InChIKey:
MAIQPVFXODAAIG-UHFFFAOYSA-N

Cite this record

CBID:302266 http://www.chembase.cn/molecule-302266.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dipropyl sulfite
IUPAC Traditional name
dipropyl sulfite
Synonyms
Di-n-propyl sulfite
亚硫酸二正丙酯
CAS Number
623-98-3
MDL Number
MFCD00059404
Beilstein Number
1703571

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar L12033 external link Add to cart
Data Source Data ID Price
Alfa Aesar
L12033 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) 1.6262984  LogD (pH = 7.4) 1.6262984 
Log P 1.6262984  Molar Refractivity 39.8377 cm3
Polarizability 16.82382 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
107-109°C/42mm expand Show data source
Flash Point
110°C(230°F) expand Show data source
Density
1.030 expand Show data source
Refractive Index
1.4210 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
UN3334 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 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
99% 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