Home > Compound List > Compound details
MFCD14707316 molecular structure
click picture or here to close

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

ChemBase ID: 280166
Molecular Formular: C5H5ClN2S
Molecular Mass: 160.6246
Monoisotopic Mass: 159.98619685
SMILES and InChIs

SMILES:
n1c(nsc1Cl)C1CC1
Canonical SMILES:
Clc1snc(n1)C1CC1
InChI:
InChI=1S/C5H5ClN2S/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2
InChIKey:
HBUPMSWOBPCNDW-UHFFFAOYSA-N

Cite this record

CBID:280166 http://www.chembase.cn/molecule-280166.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-3-cyclopropyl-1,2,4-thiadiazole
IUPAC Traditional name
5-chloro-3-cyclopropyl-1,2,4-thiadiazole
Synonyms
5-chloro-3-cyclopropyl-1,2,4-thiadiazole
MDL Number
MFCD14707316
PubChem SID
180665697
PubChem CID
20079385

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87250 external link Add to cart Please log in.
Data Source Data ID
PubChem 20079385 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3267326  LogD (pH = 7.4) 2.326735 
Log P 2.326735  Molar Refractivity 38.1292 cm3
Polarizability 14.089497 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)
1.405 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