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100-38-9

100-38-9结构式

常用中文名：2-二乙氨基乙硫醇
常用英文名：2-Diethylaminoethanethiol
CAS号：100-38-9
分子式：C₆H₁₅NS
分子量：133.255
相关类别：化学试剂有机试剂硫醇盐
发布时间：2018-08-06 16:38:21
更新时间：2024-01-02 17:23:26

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中文名	2-二乙氨基乙硫醇
英文名	2-(diethylamino)ethanethiol
中文别名	Β-二乙氨基乙硫醇 2-二乙基氨基乙基硫醇
英文别名	Diethylcysteamine 2-Diethylaminoethyl mercaptan MFCD00066258 Diethylcysteamin Ethanethiol,2-(diethylamino) Triethylamine,2-mercapto 2-(N,N-Diethylamino)ethylthiol Diethyl(2-mercaptoethyl)amine EINECS 202-846-8 N-Diaethyl cysteamin 2-(N,N-diethylamino)ethanethiol 2-(Diethylamino)ethanethiol Ethanethiol, 2- (diethylamino)- 2-(diethylamine)ethanethiol 2-Diethylaminoethanethiol Ethanethiol, 2-(diethylamino)- Diethylaminoethanethiol HS(CH2)2N(Et)2

密度	0.9±0.1 g/cm3
沸点	161.6±23.0 °C at 760 mmHg
熔点	127-129 °C(lit.)
分子式	C₆H₁₅NS
分子量	133.255
闪点	51.5±22.6 °C
精确质量	133.092514
PSA	42.04000
LogP	1.82
蒸汽压	2.3±0.3 mmHg at 25°C
折射率	1.469
分子结构	1、摩尔折射率：41.462、摩尔体积（cm³/mol）：148.83、等张比容（90.2K）：348.44、表面张力（dyne/cm）：29.95、极化率（10-24cm3）：16.43
计算化学	1.疏水参数计算参考值（XlogP）:1.3 2.氢键供体数量:1 3.氢键受体数量:2 4.可旋转化学键数量:4 5.互变异构体数量:无 6.拓扑分子极性表面积4.2 7.重原子数量:8 8.表面电荷:0 9.复杂度:43.8 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:0 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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KJ0525000

CHEMICAL NAME :: Ethanethiol, 2-(diethylamino)-

CAS REGISTRY NUMBER :: 100-38-9

BEILSTEIN REFERENCE NO. :: 0773677

LAST UPDATED :: 199612

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C6-H15-N-S

MOLECULAR WEIGHT :: 133.28

WISWESSER LINE NOTATION :: SH2N2&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 231 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 13(7),26,1969

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 42500 mg/m3

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 13(7),26,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 96 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 14,289,1965

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 120 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 109,108,1957 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3;Skin JAN 1993

危害码 (欧洲)	Xi
风险声明 (欧洲)	R22:Harmful if swallowed.
安全声明 (欧洲)	S22-S24/25
WGK德国	3
RTECS号	JP1185000
海关编码	2942000000

上游产品 9
100-35-6 420-12-2 816-43-3 109-89-7
100-37-8 55847-36-4 5842-22-8 5978-05-2
64-17-5
下游产品 10
14441-55-5 4358-87-6 23713-11-3 589-32-2
15904-54-8 115986-18-0 7708-55-6 78-53-5
82-99-5 88873-85-2

海关编码	2930909090
中文概述	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
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%