Home > Compound List > Compound details
105315-45-5 molecular structure
click picture or here to close

4-chloro-5-(difluoromethyl)-2-fluoro-1,3-thiazole

ChemBase ID: 97203
Molecular Formular: C4HClF3NS
Molecular Mass: 187.5706496
Monoisotopic Mass: 186.94703238
SMILES and InChIs

SMILES:
s1c(nc(c1C(F)F)Cl)F
Canonical SMILES:
Fc1nc(c(s1)C(F)F)Cl
InChI:
InChI=1S/C4HClF3NS/c5-2-1(3(6)7)10-4(8)9-2/h3H
InChIKey:
WZFWCOBEUARLKV-UHFFFAOYSA-N

Cite this record

CBID:97203 http://www.chembase.cn/molecule-97203.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-5-(difluoromethyl)-2-fluoro-1,3-thiazole
IUPAC Traditional name
4-chloro-5-(difluoromethyl)-2-fluoro-1,3-thiazole
Synonyms
4-Chloro-5-(difluoromethyl)-2-fluorothiazole 98%
CAS Number
105315-45-5
MDL Number
MFCD04972713
PubChem SID
162083814
PubChem CID
13673195

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC4170 external link Add to cart Please log in.
Data Source Data ID
PubChem 13673195 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.604213  LogD (pH = 7.4) 2.604213 
Log P 2.604213  Molar Refractivity 32.3915 cm3
Polarizability 11.784178 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant/Keep Cold 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