Home > Compound List > Compound details
21166-30-3 molecular structure
click picture or here to close

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

ChemBase ID: 810806
Molecular Formular: C10H6BrNOS
Molecular Mass: 268.12974
Monoisotopic Mass: 266.93534682
SMILES and InChIs

SMILES:
s1c(nc(c1)C=O)c1ccc(cc1)Br
Canonical SMILES:
O=Cc1csc(n1)c1ccc(cc1)Br
InChI:
InChI=1S/C10H6BrNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-6H
InChIKey:
KOMFNSXHHNSAFR-UHFFFAOYSA-N

Cite this record

CBID:810806 http://www.chembase.cn/molecule-810806.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-bromophenyl)-1,3-thiazole-4-carbaldehyde
IUPAC Traditional name
2-(4-bromophenyl)-1,3-thiazole-4-carbaldehyde
Synonyms
2-(4-BROMO-PHENYL)-THIAZOLE-4-CARBALDEHYDE
CAS Number
21166-30-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29772 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29772 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) 3.8126006  LogD (pH = 7.4) 3.8126068 
Log P 3.8126068  Molar Refractivity 70.1896 cm3
Polarizability 23.103266 Å3 Polar Surface Area 29.96 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