格洛沙腙

格洛沙腙 基本信息
CAS号 2507-91-7 分子式 C8H16N6OS2
分子量 276.38200 精确质量 　276.08300
PSA 　174.23000 LogP 　1.60200
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目录
基本信息 物化性质 安全信息 合成路线 毒性 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
2507-91-7
3D弹球模型：
立即前往扯扯看
分子式：
C8H16N6OS2
分子量：
276.38200
中文名称：
格洛沙腙
英文名称：
[(E)-[(1E)-1-(carbamothioylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]thiourea
中文别名：
格洛沙腙
英文别名：
[(E)-[(1E)-1-(carbamothioylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]thiourea;
Gloxazon;
2-Keto-3-aethoxy-butyraldehyd-bis-thiosemicarbazon;
BW 356C61;
KTS;
KC 1331;
GLOXAZONE;
3-Aethoxy-2-keto-butyraldehyd-bis-thiosemicarbazon;
WR 9838;
3-Aethoxy-butan-1,2-dion-bis-thiosemicarbazon;
3-Ethoxy-2-oxobutyraldehyde bis-thiosemicarbazone;
KTS,pharmaceutical;
Contrapar
精确分子量/精确质量：
276.08300
极性分子表面积/PSA：
174.23000
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。
EINECS：
219-715-6
InChI：
The Key: ARIFZLJIERKKEL-UHFFFAOYSA-N

物化性质展开↓

密度：
1.41g/cm3
沸点：
419.7ºC at 760mmHg
闪点：
207.6ºC
折射率：
1.645
蒸汽压：
2.97E-07mmHg at 25°C

安全信息展开↓

海关代码：
2930909090

合成路线查看所有的合成路线

  • 79-19-6

    灭鼠特

  • +

  • 3688-37-7

    3-ethoxy-2-oxobutanal

  • →

    ~43%

  • 2507-91-7

    格洛沙腙

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ES2450000
CHEMICAL NAME :
Butyraldehyde, 3-ethoxy-2-oxo-, bis(thiosemicarbazone)
CAS REGISTRY NUMBER :
2507-91-7
LAST UPDATED :
199612
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C8-H16-N6-O-S2
MOLECULAR WEIGHT :
276.42
WISWESSER LINE NOTATION :
SUYZMNUYY1&O2&1UNMYZUS

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 :
>3200 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - sensory change involving peripheral nerve Behavioral - ataxia Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
440 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - sensory change involving peripheral nerve Behavioral - ataxia Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
195 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - sensory change involving peripheral nerve Behavioral - ataxia Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
182 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1600 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
475 mg/kg/5D-I
TOXIC EFFECTS :
Behavioral - ataxia Gastrointestinal - hypermotility, diarrhea Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
190 mg/kg/5D-I
TOXIC EFFECTS :
Behavioral - ataxia Gastrointestinal - hypermotility, diarrhea Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg/5D-I
TOXIC EFFECTS :
Behavioral - ataxia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
100 mg/kg/10D-I
TOXIC EFFECTS :
Behavioral - food intake (animal) Gastrointestinal - hypermotility, diarrhea Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
90 mg/kg/30D-I
TOXIC EFFECTS :
Behavioral - food intake (animal) Gastrointestinal - hypermotility, diarrhea Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
250 mg/kg/10D-I
TOXIC EFFECTS :
Behavioral - food intake (animal) Gastrointestinal - hypermotility, diarrhea Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
300 mg/kg/10D-I
TOXIC EFFECTS :
Behavioral - coma Endocrine - hypoglycemia Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
300 mg/kg/30D-I
TOXIC EFFECTS :
Endocrine - hypoglycemia Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Human HeLa cell
DOSE/DURATION :
50 umol/l
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 92,427,1982

海关数据查看详细

中国海关编码：2930909090

概述：
2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:-0.1

2.氢键供体数量:4

3.氢键受体数量:5

4.可旋转化学键数量:6

5.互变异构体数量:21

6.拓扑分子极性表面积:174

7.重原子数量:17

8.表面电荷:0

9.复杂度:330

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:1

13.确定化学键立构中心数量:2

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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  • 79-19-6

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