1,2-Dimethylisothiourea hydriodate

The CAS register number of 1,2-Dimethylisothiourea hydriodate is 41306-45-0. It also can be called as 1,2-Dimethyl-2-ThiopseudoureaHydroiodide and the systematic name about this chemical is methyl N'-methylcarbamimidothioate hydroiodide (1:1). The molecular formula about this chemical is C₃H₉IN₂S and the molecular weight is 232.09. It belongs to the following product categories which include Organic Building Blocks; Sulfur Compounds; Thioureas and so on.

Physical properties about 1,2-Dimethylisothiourea hydriodate are: (1)ACD/LogP: 0.56; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 63.68 Å²; (10)Flash Point: 97.6 °C; (11)Enthalpy of Vaporization: 49 kJ/mol; (12)Boiling Point: 237.7 °C at 760 mmHg; (13)Vapour Pressure: 0.0312 mmHg at 25 °C.

Preparation: this chemical can be prepared by methyl-thiourea and iodomethane. This reaction will need reagent of methanol. The reaction time is 1 hour. The yield is about 100%.

Uses of 1,2-Dimethylisothiourea hydriodate: it can be used to produce 6,7-dimethoxy-2-methylamino-1H-quinazolin-4-one with N,S-dimethyl-isothiourea; hydriodide. This reaction will need reagent of Na₂CO₃ and solvent of acetonitrile, H₂O. This reaction needs heating. The reaction time is 2 hours. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: I.N/C(=N\C)SC
(2)InChI: InChI=1/C3H8N2S.HI/c1-5-3(4)6-2;/h1-2H3,(H2,4,5);1H
(3)InChIKey: UDUMWDDMSHXGGQ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C3H8N2S.HI/c1-5-3(4)6-2;/h1-2H3,(H2,4,5);1H
(5)Std. InChIKey: UDUMWDDMSHXGGQ-UHFFFAOYSA-N