CAS 6966-83-2|methyl N-methyl-(methylamino)methanimidothioate hydroiodide|N,N'-dimethyl(methylsulfanyl)methanimidamide hydroiodide|N,N'-dimethylmethylsulfanylmethanimidamide hydroiodide|N,N’,S-Trim...

General Information

Structure

Molecular Formula

C₄H₁₁IN₂S

Molecular Mass

246.11301

Exact Mass

245.96876736

Charge

InChI

InChI=1S/C4H10N2S.HI/c1-5-4(6-2)7-3;/h1-3H3,(H,5,6);1H

InChIKey

VAKZYIIFXHRFIA-UHFFFAOYSA-N

Canonic Smiles

CN/C(=N/C)/SC.I

Isomeric Smiles

N(=C(\NC)/SC)/C.I

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.4979371

LogD (pH = 7.4)

-1.3222173

Log P

0.914746

Molar Refractivity

34.2357

Polarizability

13.045473

Polar Surface Area

24.39

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

methyl N-methyl-(methylamino)methanimidothioate hydroiodideN,N’,S-Trimethylthiopseudourea HydriodideS,N,N'-Trimethylisothiouronium IodideN,N’-Dimethyl-carbamimidothioic Acid Methyl Ester MonohydriodideN,N’-Dimethyl-S-methylisothiouronium Iodide

IUPAC name

N,N'-dimethyl(methylsulfanyl)methanimidamide hydroiodide (Z)-N,N'-dimethyl(methylsulfanyl)methanimidamide hydroiodide

IUPAC Traditional name

N,N'-dimethylmethylsulfanylmethanimidamide hydroiodide (Z)-N,N'-dimethylmethylsulfanylmethanimidamide hydroiodide

Names and Identifiers

Registration numbers

PubChem CID

2775205

MDL Number

MFCD00100538

PubChem SID

162044319