CAS 335033-68-6|methyl({4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}methyl)amine hydrochloride|N-methyl-N-[(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methyl]amine hydrochloride|methyl({4-methylthieno[3,2-b]pyrr...

General Information

Structure

Molecular Formula

C₉H₁₃ClN₂S

Molecular Mass

216.73092

Exact Mass

216.04879711

Charge

InChI

InChI=1S/C9H12N2S.ClH/c1-10-6-7-5-9-8(11(7)2)3-4-12-9;/h3-5,10H,6H2,1-2H3;1H

InChIKey

JUWOUDJRMHOUBO-UHFFFAOYSA-N

Canonic Smiles

CNCc1cc2c(n1C)ccs2.Cl

Isomeric Smiles

n1(c2c(cc1CNC)scc2)C.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.4672878

LogD (pH = 7.4)

-0.19119278

Log P

1.6605818

Molar Refractivity

52.0566

Polarizability

21.159176

Polar Surface Area

16.96

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

methyl({4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}methyl)amine hydrochloride

Synonyms

N-methyl-N-[(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methyl]amine hydrochloride

IUPAC Traditional name

methyl({4-methylthieno[3,2-b]pyrrol-5-yl}methyl)amine hydrochloride

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties

Product Information

Purity

95%

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

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC name

• Synonyms

• IUPAC Traditional name

Registration numbers

• CAS Number

• MDL Number

• PubChem SID

• PubChem CID

Properties

• Product Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:101241