Home > Compound List > Compound details
MFCD09743897 molecular structure
click picture or here to close

5-chloro-3-ethyl-1,2,4-thiadiazole

ChemBase ID: 280162
Molecular Formular: C4H5ClN2S
Molecular Mass: 148.6139
Monoisotopic Mass: 147.98619685
SMILES and InChIs

SMILES:
n1c(snc1CC)Cl
Canonical SMILES:
CCc1nsc(n1)Cl
InChI:
InChI=1S/C4H5ClN2S/c1-2-3-6-4(5)8-7-3/h2H2,1H3
InChIKey:
NWPLNDNOAIZDHV-UHFFFAOYSA-N

Cite this record

CBID:280162 http://www.chembase.cn/molecule-280162.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-3-ethyl-1,2,4-thiadiazole
IUPAC Traditional name
5-chloro-3-ethyl-1,2,4-thiadiazole
Synonyms
5-chloro-3-ethyl-1,2,4-thiadiazole
MDL Number
MFCD09743897
PubChem SID
180665693
PubChem CID
14763517

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87245 external link Add to cart Please log in.
Data Source Data ID
PubChem 14763517 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.260504  LogD (pH = 7.4) 2.2605078 
Log P 2.2605078  Molar Refractivity 35.3569 cm3
Polarizability 12.974561 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.49 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