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

基本信息

化学结构

分子式

C₄H₁₁IN₂S

分子量

246.11301

精确质量

245.96876736

电荷

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

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-1.4979371

LogD (pH = 7.4)

-1.3222173

Log P

0.914746

摩尔折射率

34.2357

极化性

13.045473

极化表面积

24.39

可自由旋转的化学键

里宾斯基五规则

true

数据来源

学术数据

产品目录

数据来源

名称和标识

别名

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标准名

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

IUPAC传统名

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

名称和标识

数据登录号

PubChem CID

2775205

MDL号

MFCD00100538

PubChem SID

162044319