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145300-46-5 molecular structure
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2-(4-ethylphenyl)-1,3-thiazolidine

ChemBase ID: 44314
Molecular Formular: C11H15NS
Molecular Mass: 193.3085
Monoisotopic Mass: 193.09252049
SMILES and InChIs

SMILES:
C1(NCCS1)c1ccc(cc1)CC
Canonical SMILES:
CCc1ccc(cc1)C1NCCS1
InChI:
InChI=1S/C11H15NS/c1-2-9-3-5-10(6-4-9)11-12-7-8-13-11/h3-6,11-12H,2,7-8H2,1H3
InChIKey:
GNBVTIOCKRYZIB-UHFFFAOYSA-N

Cite this record

CBID:44314 http://www.chembase.cn/molecule-44314.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-ethylphenyl)-1,3-thiazolidine
IUPAC Traditional name
2-(4-ethylphenyl)-1,3-thiazolidine
Synonyms
2-(4-Ethylphenyl)-1,3-thiazolane
1-Ethyl-4-(1,3-thiazolidin-2-yl)benzene
2-(4-Ethylphenyl)-1,3-thiazolidine
CAS Number
145300-46-5
MDL Number
MFCD09027140
PubChem SID
162049077
PubChem CID
18526236

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18526236 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6128742  LogD (pH = 7.4) 2.3459466 
Log P 3.048268  Molar Refractivity 59.0837 cm3
Polarizability 23.35614 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
91 - 93 °C expand Show data source
91-93°C expand Show data source
Storage Condition
Store under N2 at -18°C expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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