CAS 423768-48-3|3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-1,2-oxazole-4-carbonyl chloride|3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride|3-methyl-5-(4-methyl-1,2,3-thiadi...

General Information

Structure

Molecular Formula

C₈H₆ClN₃O₂S

Molecular Mass

243.67014

Exact Mass

242.98692513

Charge

InChI

InChI=1S/C8H6ClN3O2S/c1-3-5(8(9)13)6(14-11-3)7-4(2)10-12-15-7/h1-2H3

InChIKey

DXNHDDQNUFULTA-UHFFFAOYSA-N

Canonic Smiles

Cc1nnsc1c1onc(c1C(=O)Cl)C

Isomeric Smiles

o1c(c(C(=O)Cl)c(n1)C)c1c(nns1)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.94411355

LogD (pH = 7.4)

0.94411427

Log P

0.9441143

Molar Refractivity

56.8935

Polarizability

21.664816

Polar Surface Area

68.88

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-1,2-oxazole-4-carbonyl chloride

IUPAC name

3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-1,2-oxazole-4-carbonyl chloride

Synonyms

3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

MDL Number

PubChem CID

Registration numbers

Properties

Product Information

Purity

97%

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Navigation

General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• IUPAC name

• Synonyms

Registration numbers

• CAS Number

• PubChem SID

• MDL Number

• PubChem CID

Properties

• Product Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:80720