Home > Compound List > Compound details
MFCD01109238 molecular structure
click picture or here to close

4-chloro-2-phenyl-1,3-thiazole-5-carbaldehyde

ChemBase ID: 53984
Molecular Formular: C10H6ClNOS
Molecular Mass: 223.67874
Monoisotopic Mass: 222.9858625
SMILES and InChIs

SMILES:
c1(Cl)c(sc(n1)c1ccccc1)C=O
Canonical SMILES:
O=Cc1sc(nc1Cl)c1ccccc1
InChI:
InChI=1S/C10H6ClNOS/c11-9-8(6-13)14-10(12-9)7-4-2-1-3-5-7/h1-6H
InChIKey:
BEXKFRZZFNJNSZ-UHFFFAOYSA-N

Cite this record

CBID:53984 http://www.chembase.cn/molecule-53984.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-phenyl-1,3-thiazole-5-carbaldehyde
IUPAC Traditional name
4-chloro-2-phenyl-1,3-thiazole-5-carbaldehyde
Synonyms
4-Chloro-2-phenylthiazole-5-carbaldehyde
MDL Number
MFCD01109238
PubChem SID
162058747
PubChem CID
2748721

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
058897 external link Add to cart Please log in.
Data Source Data ID
PubChem 2748721 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3259723  LogD (pH = 7.4) 3.3259726 
Log P 3.3259726  Molar Refractivity 68.6022 cm3
Polarizability 22.260895 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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