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36093-99-9 molecular structure
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[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanol

ChemBase ID: 810822
Molecular Formular: C10H8ClNOS
Molecular Mass: 225.69462
Monoisotopic Mass: 225.00151256
SMILES and InChIs

SMILES:
C(O)c1nc(sc1)c1ccc(cc1)Cl
Canonical SMILES:
OCc1csc(n1)c1ccc(cc1)Cl
InChI:
InChI=1S/C10H8ClNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-4,6,13H,5H2
InChIKey:
GGAMZEDLVRNGBN-UHFFFAOYSA-N

Cite this record

CBID:810822 http://www.chembase.cn/molecule-810822.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanol
IUPAC Traditional name
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanol
Synonyms
[2-(4-CHLORO-PHENYL)-THIAZOL-4-YL]-METHANOL
CAS Number
36093-99-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29789 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29789 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.912871  H Acceptors
H Donor LogD (pH = 5.5) 2.5749147 
LogD (pH = 7.4) 2.5749748  Log P 2.5749757 
Molar Refractivity 67.4665 cm3 Polarizability 22.714031 Å3
Polar Surface Area 33.12 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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