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36093-97-7 molecular structure
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[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanol

ChemBase ID: 799325
Molecular Formular: C11H11NOS
Molecular Mass: 205.27614
Monoisotopic Mass: 205.05613498
SMILES and InChIs

SMILES:
C(O)c1nc(sc1)c1ccc(cc1)C
Canonical SMILES:
OCc1csc(n1)c1ccc(cc1)C
InChI:
InChI=1S/C11H11NOS/c1-8-2-4-9(5-3-8)11-12-10(6-13)7-14-11/h2-5,7,13H,6H2,1H3
InChIKey:
MUQRQDVYECSELB-UHFFFAOYSA-N

Cite this record

CBID:799325 http://www.chembase.cn/molecule-799325.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanol
IUPAC Traditional name
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanol
Synonyms
(2-p-tolylthiazol-4-yl)methanol
CAS Number
36093-97-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13789 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13789 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.914812  H Acceptors
H Donor LogD (pH = 5.5) 2.4842863 
LogD (pH = 7.4) 2.4843514  Log P 2.4843524 
Molar Refractivity 67.7029 cm3 Polarizability 22.595686 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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