Home > Compound List > Compound details
875858-80-3 molecular structure
click picture or here to close

2-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde

ChemBase ID: 251840
Molecular Formular: C10H6FNOS
Molecular Mass: 207.2241432
Monoisotopic Mass: 207.01541304
SMILES and InChIs

SMILES:
n1c(scc1C=O)c1ccc(cc1)F
Canonical SMILES:
O=Cc1csc(n1)c1ccc(cc1)F
InChI:
InChI=1S/C10H6FNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-6H
InChIKey:
JICLYSLZMLTUSP-UHFFFAOYSA-N

Cite this record

CBID:251840 http://www.chembase.cn/molecule-251840.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde
IUPAC Traditional name
2-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde
Synonyms
2-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde
2-(4-FLUORO-PHENYL)-THIAZOLE-4-CARBALDEHYDE
CAS Number
875858-80-3
MDL Number
MFCD06738362
PubChem SID
164307750
PubChem CID
7131928

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7131928 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1865494  LogD (pH = 7.4) 3.186556 
Log P 3.1865563  Molar Refractivity 62.7832 cm3
Polarizability 19.977118 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
99 - 101°C expand Show data source
Hydrophobicity(logP)
2.655 expand Show data source
Purity
95% expand Show data source
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