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306934-98-5 molecular structure
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2-(thiophen-2-yl)-1,3-thiazole-4-carbonyl chloride

ChemBase ID: 80576
Molecular Formular: C8H4ClNOS2
Molecular Mass: 229.70646
Monoisotopic Mass: 228.94228343
SMILES and InChIs

SMILES:
n1c(c2cccs2)scc1C(=O)Cl
Canonical SMILES:
ClC(=O)c1csc(n1)c1cccs1
InChI:
InChI=1S/C8H4ClNOS2/c9-7(11)5-4-13-8(10-5)6-2-1-3-12-6/h1-4H
InChIKey:
XSEVQABMEAUTLT-UHFFFAOYSA-N

Cite this record

CBID:80576 http://www.chembase.cn/molecule-80576.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(thiophen-2-yl)-1,3-thiazole-4-carbonyl chloride
IUPAC Traditional name
2-(thiophen-2-yl)-1,3-thiazole-4-carbonyl chloride
Synonyms
2-(2-Thienyl)-1,3-thiazole-4-carbonyl chloride
CAS Number
306934-98-5
MDL Number
MFCD02681999
PubChem SID
162067696
PubChem CID
2776318

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR23154 external link Add to cart Please log in.
Data Source Data ID
PubChem 2776318 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0107193  LogD (pH = 7.4) 3.0107198 
Log P 3.0107198  Molar Refractivity 64.0006 cm3
Polarizability 20.919943 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
90-93°C expand Show data source
Storage Warning
Corrosive expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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