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MFCD08060633 molecular structure
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2-(chloromethyl)-4-(4-methoxyphenyl)-1,3-thiazole hydrochloride

ChemBase ID: 72034
Molecular Formular: C11H11Cl2NOS
Molecular Mass: 276.18214
Monoisotopic Mass: 274.99384034
SMILES and InChIs

SMILES:
n1c(csc1CCl)c1ccc(cc1)OC.Cl
Canonical SMILES:
COc1ccc(cc1)c1csc(n1)CCl.Cl
InChI:
InChI=1S/C11H10ClNOS.ClH/c1-14-9-4-2-8(3-5-9)10-7-15-11(6-12)13-10;/h2-5,7H,6H2,1H3;1H
InChIKey:
TUXHJHBHIGZXKW-UHFFFAOYSA-N

Cite this record

CBID:72034 http://www.chembase.cn/molecule-72034.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(chloromethyl)-4-(4-methoxyphenyl)-1,3-thiazole hydrochloride
IUPAC Traditional name
2-(chloromethyl)-4-(4-methoxyphenyl)-1,3-thiazole hydrochloride
Synonyms
2-(Chloromethyl)-4-(4-methoxyphenyl)-1,3-thiazole hydrochloride
MDL Number
MFCD08060633
PubChem SID
162037269
PubChem CID
71299247

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 71299247 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.167833  LogD (pH = 7.4) 3.1678512 
Log P 3.1678514  Molar Refractivity 61.6877 cm3
Polarizability 25.220215 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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