CAS 1060817-72-2|methyl[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]amine|methyl[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]amine|Methyl-(4-methyl-[1,2,3]thiadiazol-5-ylmethyl)-amine|N-methyl-1-(4-methyl-1,2...

General Information

Structure

Molecular Formula

C₅H₉N₃S

Molecular Mass

143.21006

Exact Mass

143.0517183

Charge

InChI

InChI=1S/C5H9N3S/c1-4-5(3-6-2)9-8-7-4/h6H,3H2,1-2H3

InChIKey

QNLGXALTUJAMMA-UHFFFAOYSA-N

Canonic Smiles

CNCc1snnc1C

Isomeric Smiles

n1nc(c(s1)CNC)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.213479

LogD (pH = 7.4)

-0.48525643

Log P

0.38414186

Molar Refractivity

37.9796

Polarizability

14.252965

Polar Surface Area

37.81

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

methyl[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]amine

IUPAC name

methyl[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]amine

Synonyms

Methyl-(4-methyl-[1,2,3]thiadiazol-5-ylmethyl)-amineN-methyl-1-(4-methyl-1,2,3-thiadiazol-5-yl)methanamine

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

Registration numbers

Properties

Safety Information

MSDS Link

Download link

Storage Warning

IRRITANT

TSCA Listed

false

Properties

Related Proteins

No Data Available

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• IUPAC name

• Synonyms

Registration numbers

• MDL Number

• CAS Number

• PubChem CID

• PubChem SID

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:31998