Home > Compound List > Compound details
654073-18-4 molecular structure
click picture or here to close

2-(dimethylamino)ethane-1-sulfonyl chloride

ChemBase ID: 814267
Molecular Formular: C4H10ClNO2S
Molecular Mass: 171.6457
Monoisotopic Mass: 171.01207725
SMILES and InChIs

SMILES:
C(CN(C)C)S(=O)(=O)Cl
Canonical SMILES:
CN(CCS(=O)(=O)Cl)C
InChI:
InChI=1S/C4H10ClNO2S/c1-6(2)3-4-9(5,7)8/h3-4H2,1-2H3
InChIKey:
GZIHJZQDTQEGRU-UHFFFAOYSA-N

Cite this record

CBID:814267 http://www.chembase.cn/molecule-814267.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(dimethylamino)ethane-1-sulfonyl chloride
IUPAC Traditional name
2-(dimethylamino)ethanesulfonyl chloride
Synonyms
2-(dimethylamino)ethanesulfonyl chloride
CAS Number
654073-18-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36425 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36425 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) -0.35047364  LogD (pH = 7.4) -0.03022624 
Log P -0.024143517  Molar Refractivity 38.2461 cm3
Polarizability 15.791657 Å3 Polar Surface Area 37.38 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

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