2-methanehydrazonoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one|2-methanehydrazonoyl-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one|5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxaldehyde hydr...

General Information

Structure

Molecular Formula

C₈H₈N₄OS

Molecular Mass

208.24032

Exact Mass

208.0418819

Charge

InChI

InChI=1S/C8H8N4OS/c1-4-3-14-8-6(4)7(13)11-5(12-8)2-10-9/h2-3H,9H2,1H3,(H,11,12,13)

InChIKey

XHQQXRMRALTXJZ-UHFFFAOYSA-N

Canonic Smiles

N/N=C/c1nc2scc(c2c(=O)[nH]1)C

Isomeric Smiles

n1c([nH]c(=O)c2c1scc2C)/C=N/N

Calculated Properties

JChem

Acid pKa

8.629663

H Acceptors

H Donor

LogD (pH = 5.5)

1.038793

LogD (pH = 7.4)

1.0172538

Log P

1.0391563

Molar Refractivity

56.0943

Polarizability

19.502773

Polar Surface Area

79.84

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

2-methanehydrazonoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

2-methanehydrazonoyl-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

Synonyms

5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxaldehyde hydrazone

Names and Identifiers

Registration numbers

PubChem SID

162068925

MDL Number

MFCD02682088

PubChem CID

9582188

Registration numbers

Properties

No Data Available

Click here to submit data

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

Molecule

ID:81806