5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione 基本信息
CAS号 77-32-7 分子式 C8H12N2O2S
分子量 200.25800 精确质量  200.06200
PSA  90.29000 LogP  0.98130

基本信息 展开↓

CAS号:
77-32-7
3D弹球模型:
立即前往扯扯看
分子式:
C8H12N2O2S
分子量:
200.25800
英文名称:
5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
英文别名:
5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;
5,5-Diaethyl-2-thio-barbitursaeure;
5,5-diethyl-2-thioxo-dihydro-pyrimidine-4,6-dione;
Sedothyron;
Ibition;
5,5-Diethyl-2-thiobarbituric acid;
Thyreosedine;
2-Thiobarbital;
Thiobaral;
2-thio-5,5-diethylbarbituric acid;
Certodorm;
Thiothyr;
Thiobarbital;
Thiobarbitone;
Diethylthiobarbituric acid
精确分子量/精确质量:
200.06200
极性分子表面积/PSA:
90.29000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: QGVNJRROSLYGKF-UHFFFAOYSA-N

物化性质展开↓

密度:
1.26g/cm3
折射率:
1.568

合成路线查看所有的合成路线

  • 77-25-8

    二乙基丙二酸二乙酯

  • +

  • 17356-08-0

    aminothioamide

  • ~47%

  • 77-32-7

    5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

  • 57-44-3

    5,5-二乙基丙二酰脲

  • +

  • 108-88-3

    甲苯

  • 77-32-7

    5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

  • +

  • 30006-22-5

    4(1H)-Pyrimidinone, 5,5-diethyltetrahydro-2,6-dithioxo-

  • 56-23-5

    四氯化碳

  • +

  • 57-44-3

    5,5-二乙基丙二酰脲

  • 77-32-7

    5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

  • +

  • 30006-22-5

    4(1H)-Pyrimidinone, 5,5-diethyltetrahydro-2,6-dithioxo-

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ3880000
CHEMICAL NAME :
Barbituric acid, 5,5-diethyl-2-thio-
CAS REGISTRY NUMBER :
77-32-7
LAST UPDATED :
199209
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H12-N2-O2-S
MOLECULAR WEIGHT :
200.28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
175 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 97,478,1949
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 57,1961,1935

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