CAS 27282-89-9|4-(Methylthio)-1,3,5-triazin-2-amine|4-(methylsulfanyl)-1,3,5-triazin-2-amine|4-(methylsulfanyl)-1,3,5-triazin-2-amine|4-(methylsulfanyl)-1,3,5-triazin-2-amine|4-(Methylthio)-1,3,5-tr...

General Information

Structure

Molecular Formula

C₄H₆N₄S

Molecular Mass

142.18224

Exact Mass

142.03131721

Charge

InChI

InChI=1S/C4H6N4S/c1-9-4-7-2-6-3(5)8-4/h2H,1H3,(H2,5,6,7,8)

InChIKey

SQROAKSRUALIEJ-UHFFFAOYSA-N

Canonic Smiles

CSc1nc(N)ncn1

Isomeric Smiles

n1cnc(nc1N)SC

Calculated Properties

JChem

Acid pKa

15.435549

H Acceptors

H Donor

LogD (pH = 5.5)

1.0109601

LogD (pH = 7.4)

1.0125747

Log P

1.0125953

Molar Refractivity

39.8729

Polarizability

13.747765

Polar Surface Area

64.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

4-(Methylthio)-1,3,5-triazin-2-amine4-(methylsulfanyl)-1,3,5-triazin-2-amine4-(Methylthio)-1,3,5-triazin-2-amine

IUPAC Traditional name

4-(methylsulfanyl)-1,3,5-triazin-2-amine

IUPAC name

4-(methylsulfanyl)-1,3,5-triazin-2-amine

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

CBR00308

Other Notes
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Legal Information
Product of ChemBridge Corp.

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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