2,4-Imidazolidinedione,5-(1-ethylpentyl)-3-[(trichloromethyl)thio]-
- 中文别名：氯登妥因
- 中文释义：氯登妥因
- 英文别名：5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione;
Clodantoina [INN-Spanish];
Sporostacin;
EINECS 226-995-3;
Chlordantoin;
Clodantoin;
Clodantoinum [INN-Latin];
Clodantocidum;
Clodantoine [INN-French]
- CAS No.：5588-20-5
- 分子式：
C11H17Cl3N2O2S
- 分子量：347.6889
- 精确分子量：346.00800
- PSA：74.71000
- InChI：The Key: VOGJJBHRUDVEFM-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.39g/cm3
- 折射率：
- 1.562
安全信息
- 密度：
- 1.39g/cm3
- 折射率：
- 1.562
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- MU2400000
- CHEMICAL NAME :
- Hydantoin, 5-(1-ethylpentyl)-3-((trichloromethyl)thio)-
- CAS REGISTRY NUMBER :
- 5588-20-5
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C11-H17-Cl3-N2-O2-S
- MOLECULAR WEIGHT :
- 347.71
- WISWESSER LINE NOTATION :
- T5MVNVTJ CSXGGG EY4&2
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >1165 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 11,73,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 86 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 11,73,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- >400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 11,73,1961
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:4.7
2.氢键供体数量:1
3.氢键受体数量:3
4.可旋转化学键数量:6
5.互变异构体数量:4
6.拓扑分子极性表面积:74.7
7.重原子数量:19
8.表面电荷:0
9.复杂度:349
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:2
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
