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25100-91-8 molecular structure
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2-(4-chlorophenyl)-4-methyl-1,3-thiazole

ChemBase ID: 815586
Molecular Formular: C10H8ClNS
Molecular Mass: 209.69522
Monoisotopic Mass: 209.00659794
SMILES and InChIs

SMILES:
s1c(nc(c1)C)c1ccc(cc1)Cl
Canonical SMILES:
Clc1ccc(cc1)c1scc(n1)C
InChI:
InChI=1S/C10H8ClNS/c1-7-6-13-10(12-7)8-2-4-9(11)5-3-8/h2-6H,1H3
InChIKey:
BOLUTFLCJITYBW-UHFFFAOYSA-N

Cite this record

CBID:815586 http://www.chembase.cn/molecule-815586.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-chlorophenyl)-4-methyl-1,3-thiazole
IUPAC Traditional name
2-(4-chlorophenyl)-4-methyl-1,3-thiazole
Synonyms
2-(4-chlorophenyl)-4-methylthiazole
CAS Number
25100-91-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37924 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37924 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3918195  LogD (pH = 7.4) 3.3922186 
Log P 3.3922236  Molar Refractivity 65.7643 cm3
Polarizability 21.996696 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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