CAS 885279-75-4|[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanol|[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanol|[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanol|[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]met...

General Information

Structure

Molecular Formula

C₁₁H₁₁NO₂S

Molecular Mass

221.27554

Exact Mass

221.0510496

Charge

InChI

InChI=1S/C11H11NO2S/c1-14-10-4-2-8(3-5-10)11-12-9(6-13)7-15-11/h2-5,7,13H,6H2,1H3

InChIKey

VFSRWAISOVFLJP-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1)c1scc(n1)CO

Isomeric Smiles

n1c(scc1CO)c1ccc(cc1)OC

Calculated Properties

JChem

Acid pKa

13.915924

H Acceptors

H Donor

LogD (pH = 5.5)

1.8131908

LogD (pH = 7.4)

1.8132586

Log P

1.8132597

Molar Refractivity

69.1249

Polarizability

23.351192

Polar Surface Area

42.35

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanol

IUPAC name

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanol

Synonyms

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanol[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]methanol4-(Hydroxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole[2-(4-METHOXY-PHENYL)-THIAZOL-4-YL]-METHANOL

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties

Physical Property

Melting Point

84-86°C

84 - 86 °C

74 - 76°C

Hydrophobicity(logP)

1.566

Product Information

Purity

>95%

95%

98%

Safety Information

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IRRITANT

Irritant

false

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanol

IUPAC name

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanol

Synonyms

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanol[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]methanol4-(Hydroxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole[2-(4-METHOXY-PHENYL)-THIAZOL-4-YL]-METHANOL

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Physical Property

Melting Point

84-86°C

84 - 86 °C

74 - 76°C

Hydrophobicity(logP)

1.566

Product Information

Purity

>95%

95%

98%

Safety Information

Download link

IRRITANT

Irritant

false

Molecule

ID:40188