N,N-dimethyl-N'-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]methanimidamide|N,N-dimethyl-N'-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]methanimidamide|N,N-dimethyl-N'-[3-(trichloromethyl)-1,2,4-thiad...

General Information

Structure

Molecular Formula

C₆H₇Cl₃N₄S

Molecular Mass

273.57058

Exact Mass

271.94570028

Charge

InChI

InChI=1S/C6H7Cl3N4S/c1-13(2)3-10-5-11-4(12-14-5)6(7,8)9/h3H,1-2H3

InChIKey

WFJHGUGVUSLMIQ-UHFFFAOYSA-N

Canonic Smiles

CN(/C=N/c1snc(n1)C(Cl)(Cl)Cl)C

Isomeric Smiles

n1c(/N=C/N(C)C)snc1C(Cl)(Cl)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.5408602

LogD (pH = 7.4)

2.9284732

Log P

2.936743

Molar Refractivity

63.5464

Polarizability

22.340351

Polar Surface Area

41.38

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

N,N-dimethyl-N'-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]methanimidamide

Synonyms

N,N-dimethyl-N'-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]iminoformamide

IUPAC Traditional name

N,N-dimethyl-N'-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]methanimidamide

Names and Identifiers

Registration numbers

PubChem SID

162044028

PubChem CID

9582118

MDL Number

MFCD00828942

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

Navigation

General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC name

• Synonyms

• IUPAC Traditional name

Registration numbers

• PubChem SID

• PubChem CID

• MDL Number

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:79265