Home > Compound List > Compound details
423768-45-0 molecular structure
click picture or here to close

ethyl 2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate

ChemBase ID: 83153
Molecular Formular: C10H8BrNO2S2
Molecular Mass: 318.21002
Monoisotopic Mass: 316.9179825
SMILES and InChIs

SMILES:
n1c(c2ccc(s2)Br)scc1C(=O)OCC
Canonical SMILES:
CCOC(=O)c1csc(n1)c1ccc(s1)Br
InChI:
InChI=1S/C10H8BrNO2S2/c1-2-14-10(13)6-5-15-9(12-6)7-3-4-8(11)16-7/h3-5H,2H2,1H3
InChIKey:
UQDNCYJCQLXMOK-UHFFFAOYSA-N

Cite this record

CBID:83153 http://www.chembase.cn/molecule-83153.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate
IUPAC Traditional name
ethyl 2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate
Synonyms
ethyl 2-(5-bromo-2-thienyl)-1,3-thiazole-4-carboxylate
CAS Number
423768-45-0
MDL Number
MFCD03407345
PubChem SID
162070272
PubChem CID
2779725

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2779725 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9148405  LogD (pH = 7.4) 3.9148407 
Log P 3.9148407  Molar Refractivity 76.4425 cm3
Polarizability 26.35893 Å3 Polar Surface Area 39.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
TECH 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