CAS 639782-44-8|5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-amine|6,7-Dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-ylamine|5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-amine

General Information

Structure

Molecular Formula

C₅H₈N₄S

Molecular Mass

156.20882

Exact Mass

156.04696728

Charge

InChI

InChI=1S/C5H8N4S/c6-4-7-8-5-9(4)2-1-3-10-5/h1-3H2,(H2,6,7)

InChIKey

GLAHJFGEMLNJEJ-UHFFFAOYSA-N

Canonic Smiles

Nc1nnc2n1CCCS2

Isomeric Smiles

n12c(nnc1N)SCCC2

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.06999117

LogD (pH = 7.4)

0.07044247

Log P

0.07044823

Molar Refractivity

43.4772

Polarizability

15.227306

Polar Surface Area

56.73

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

6,7-Dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-ylamine

IUPAC Traditional name

5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-amine

IUPAC name

5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-amine

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Product Information

Purity

95+%

Physical Property

Partition Coefficient

0.711

Properties

Related Proteins

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Molecular Spectra

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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

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Academic Data

• Commercial Catalog

Names and Identifiers

• Synonyms

• IUPAC Traditional name

• IUPAC name

Registration numbers

• MDL Number

• CAS Number

• PubChem SID

• PubChem CID

Properties

• Product Information

• Physical Property

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:115167