CAS 24918-13-6|{6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methanol|{6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methanol|(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanol|(6-Chloro-imidazo[2,1-b]thiazol-5...

General Information

Structure

Molecular Formula

C₆H₅ClN₂OS

Molecular Mass

188.6347

Exact Mass

187.98111147

Charge

InChI

InChI=1S/C6H5ClN2OS/c7-5-4(3-10)9-1-2-11-6(9)8-5/h1-2,10H,3H2

InChIKey

PWHRIJYPBNUZLZ-UHFFFAOYSA-N

Canonic Smiles

OCc1c(Cl)nc2n1ccs2

Isomeric Smiles

n1c2n(c(c1Cl)CO)ccs2

Calculated Properties

JChem

Acid pKa

14.049829

H Acceptors

H Donor

LogD (pH = 5.5)

0.66165215

LogD (pH = 7.4)

0.6616993

Log P

0.6617

Molar Refractivity

56.0719

Polarizability

16.524403

Polar Surface Area

37.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

{6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methanol

IUPAC name

{6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methanol

Synonyms

(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanol(6-Chloro-imidazo[2,1-b]thiazol-5-yl)-methanol

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties

Safety Information

TSCA Listed

false

MSDS Link

Download link

Storage Warning

IRRITANT

Physical Property

Melting Point

168-170°C

168 - 170 °C

174 - 176°C

Hydrophobicity(logP)

0.66

Product Information

Purity

>95%

> 95%

95%

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

暂无数据

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC Traditional name

{6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methanol

IUPAC name

{6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methanol

Synonyms

(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanol(6-Chloro-imidazo[2,1-b]thiazol-5-yl)-methanol

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Properties

Safety Information

TSCA Listed

false

MSDS Link

Download link

Storage Warning

IRRITANT

Physical Property

Melting Point

168-170°C

168 - 170 °C

174 - 176°C

Hydrophobicity(logP)

0.66

Product Information

Purity

>95%

> 95%

95%

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Molecule

ID:42263