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化合物简介
Intermediate of 4-Hydroxydebrisoquine. S-Methyl-isothiouronium Hemisulfate is also a reagent used in the synthesis of strobilurin-pyrimidine derivatives for their anti-proliferative activity.
基本信息
CAS:867-44-7
中文别名:S-甲基-ITU;2-甲基异硫脲硫酸盐;甲基异硫脲硫酸盐;JS-甲基异硫脲硫酸盐;S-甲基异硫脲;2-甲基-2-疏基硫酸脲;2-甲基-2-硫代异尿素硫酸盐;2-甲基-2-硫代假脲半硫酸盐;
英文别名:S-METHYLTHIOURONIUM SULFATE FOR SYNTHESIS;S-Methylisothiourea hemisulfate;methyl imidothiocarbamate;S-METHYL ISOTHIOUREA SULFATE;S-METHYL-ISO-THIOUREA SULFATE;S-EIT hemihydrate;S-METHYLISOTHIOURONIUM SULFATE;S-methylisothiourea hydrogensulfate;S-methyl-2-thiopseudourea hydrogen sulfate;S-Methylisothiourea Hemisulfate Salt;S-METHYL-ISO-THIOUREA;S-Methyl-isothiouronium Hemisulfate;S-METHYLISOTHIOUREA HEMISULFATE SALT _X000D_;2-Methyl-2-thiopseudourea hemisulfate;S-METHYLISOTHIOURONIUM SULPHATE/S-METHYLISOTHIOUREA SULPHATE/2-METHYL-2-THIOPSEUDOUREA SULPHATE;methyl imidothiocarbamate sulfate;S-METHYLISOTHIOUREASULFATE;S-Methyl-ITU;S-methylisothiouronium hydrogensulfate;S-Methyl-ITU . sulfate;2-METHYL-2-THIOPSEUDO UREA 14C SULFATE;(S)-METHYLISOTHIOUREA SULFATE;S-METHYLTHIOPSEUDOUREA SULPHATE;S-Methylisothiourea sulfate;Carbamimidothioic acid, methyl ester, sulfate (2:1);S-METHYLTHIOURONIUMSULFATE(2:1);2-Methyl-2-thiopseud;S-Methylisothiourea hemisulfate salt;S-methyl Isothiourea (hemisulfate);METHYLTHIURONIUMSULPHATE;METHYLTHIOURONIUMSULPHATE;S-METHYL-2-ISOTHIOUREA HEMISULPHATE;S-Methyl isothiourea sulfate;2-Methyl-2-thiopseudoureasulfate;S-METHYLISOTHIOURONIUM SULPHATE;5-METHYLISOTHIOUREA HEMISULFATE;2-methyl-2-thiopseudouronium sulfate;IMINO(METHYLSULFANYL)METHYLAMINE;methyl carbamimidothioate;S-MethyliSothourea Sulfate;S-methyl isothiourea sultate;2-METHYL-2-THIOPSEUDOUREA SULFATE (S-METHYLISOTHIOUREA SULFATE);S-METHYLTHIOURONIUM SULFATE;S-methylisothiourea sulfuric acid salt 1:1;S-METHYLTHIOUREA;S-METHYLISOTHIOHARNSTOFF HEMISULFAT;
分子式:C2H8N2O4S2
分子量:188.226
精确质量:187.993
Psa:158.15
Logp:1.4709
中文别名:S-甲基-ITU;2-甲基异硫脲硫酸盐;甲基异硫脲硫酸盐;JS-甲基异硫脲硫酸盐;S-甲基异硫脲;2-甲基-2-疏基硫酸脲;2-甲基-2-硫代异尿素硫酸盐;2-甲基-2-硫代假脲半硫酸盐;
英文别名:S-METHYLTHIOURONIUM SULFATE FOR SYNTHESIS;S-Methylisothiourea hemisulfate;methyl imidothiocarbamate;S-METHYL ISOTHIOUREA SULFATE;S-METHYL-ISO-THIOUREA SULFATE;S-EIT hemihydrate;S-METHYLISOTHIOURONIUM SULFATE;S-methylisothiourea hydrogensulfate;S-methyl-2-thiopseudourea hydrogen sulfate;S-Methylisothiourea Hemisulfate Salt;S-METHYL-ISO-THIOUREA;S-Methyl-isothiouronium Hemisulfate;S-METHYLISOTHIOUREA HEMISULFATE SALT _X000D_;2-Methyl-2-thiopseudourea hemisulfate;S-METHYLISOTHIOURONIUM SULPHATE/S-METHYLISOTHIOUREA SULPHATE/2-METHYL-2-THIOPSEUDOUREA SULPHATE;methyl imidothiocarbamate sulfate;S-METHYLISOTHIOUREASULFATE;S-Methyl-ITU;S-methylisothiouronium hydrogensulfate;S-Methyl-ITU . sulfate;2-METHYL-2-THIOPSEUDO UREA 14C SULFATE;(S)-METHYLISOTHIOUREA SULFATE;S-METHYLTHIOPSEUDOUREA SULPHATE;S-Methylisothiourea sulfate;Carbamimidothioic acid, methyl ester, sulfate (2:1);S-METHYLTHIOURONIUMSULFATE(2:1);2-Methyl-2-thiopseud;S-Methylisothiourea hemisulfate salt;S-methyl Isothiourea (hemisulfate);METHYLTHIURONIUMSULPHATE;METHYLTHIOURONIUMSULPHATE;S-METHYL-2-ISOTHIOUREA HEMISULPHATE;S-Methyl isothiourea sulfate;2-Methyl-2-thiopseudoureasulfate;S-METHYLISOTHIOURONIUM SULPHATE;5-METHYLISOTHIOUREA HEMISULFATE;2-methyl-2-thiopseudouronium sulfate;IMINO(METHYLSULFANYL)METHYLAMINE;methyl carbamimidothioate;S-MethyliSothourea Sulfate;S-methyl isothiourea sultate;2-METHYL-2-THIOPSEUDOUREA SULFATE (S-METHYLISOTHIOUREA SULFATE);S-METHYLTHIOURONIUM SULFATE;S-methylisothiourea sulfuric acid salt 1:1;S-METHYLTHIOUREA;S-METHYLISOTHIOHARNSTOFF HEMISULFAT;
分子式:C2H8N2O4S2
分子量:188.226
精确质量:187.993
Psa:158.15
Logp:1.4709
编号系统
MDL号:MFCD00013055
物化性质
外观与性状:白色结晶粉末
密度:1.28
沸点:138.8ºC at 760 mmHg
熔点:240-241°C (dec.)(lit.)
闪点:37.7ºC
水溶解性:260 g/L (20 ºC)
稳定性:Stable. Incompatible with strong oxidizing agents.
储存条件:Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
密度:1.28
沸点:138.8ºC at 760 mmHg
熔点:240-241°C (dec.)(lit.)
闪点:37.7ºC
水溶解性:260 g/L (20 ºC)
稳定性:Stable. Incompatible with strong oxidizing agents.
储存条件:Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
安全信息
RTECS号:UM9200000
安全说明:S22-S24/25
WGK Germany:3
危险类别码:R22
海关编码:2930909090
危险品标志:Xn
安全说明:S22-S24/25
WGK Germany:3
危险类别码:R22
海关编码:2930909090
危险品标志:Xn
生产方法及用途
生产方法
其制备方法是将硫脲加入反应器中加入少许水,在搅拌情况下使硫脲部分溶解,冷水浴冷却下搅拌10min,再加入重蒸的硫酸二甲酯,迅速安装上两根球形冷凝管,以防暴沸,撤去冷水浴,反应自发进行放热,5min后突然暴沸,此时固体已大部分溶解,待回流减弱并平衡后,加热再回流1h,静置过夜,反应物固化,加入95%乙醇搅拌片刻,冰水冷却0.5h,过滤,用25%乙醇洗涤得成品。 医药中间体。
用途
医药中间体。
其制备方法是将硫脲加入反应器中加入少许水,在搅拌情况下使硫脲部分溶解,冷水浴冷却下搅拌10min,再加入重蒸的硫酸二甲酯,迅速安装上两根球形冷凝管,以防暴沸,撤去冷水浴,反应自发进行放热,5min后突然暴沸,此时固体已大部分溶解,待回流减弱并平衡后,加热再回流1h,静置过夜,反应物固化,加入95%乙醇搅拌片刻,冰水冷却0.5h,过滤,用25%乙醇洗涤得成品。 医药中间体。
用途
医药中间体。
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict
