139-94-6

• 常用中文名：尼噻吖
• 常用英文名：1-ethyl-3-(5-nitro-1,3-thiazol-2-yl)urea
• CAS号：139-94-6
• 分子式：C₆H₈N₄O₃S
• 分子量：216.21800
• 发布时间：2018-07-02 21:39:37
• 更新时间：2024-01-03 18:48:03

名称

• 中文名: 尼噻吖
• 英文名: 1-ethyl-3-(5-nitro-1,3-thiazol-2-yl)urea
• 中文别名: 1-乙基-3-(5-硝基噻唑-2-基)脲
• 英文别名: N-ethyl-N'-(5-nitro-thiazol-2-yl)-urea; 1-Ethyl-3-(5-nitrothiazol-2-yl)urea; Hepzide 30; N-Aethyl-N'-(5-nitro-thiazol-2-yl)-harnstoff; EINECS 205-387-1; Nithiazide; Nithiazid; 1-Ethyl-3-(5-nitro-2-thiazolyl)harnstoff; Hepzide

物化性质

• 密度: 1.518g/cm3
• 熔点: 228ºC
• 分子式: C₆H₈N₄O₃S
• 分子量: 216.21800
• 精确质量: 216.03200
• PSA: 128.08000
• LogP: 2.17980
• 折射率: 1.647
• 分子结构:

  1、 摩尔折射率：51.77

  2、 摩尔体积（cm³/mol）：142.3

  3、 等张比容（90.2K）：411.5

  4、 表面张力（dyne/cm）：69.7

  5、 极化率（10-24cm3）：20.52

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:5

  4.可旋转化学键数量:2

  5.互变异构体数量:5

  6.拓扑分子极性表面积128

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:232

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : YT3500000 CHEMICAL NAME : Urea, 1-ethyl-3-(5-nitro-2-thiazolyl)- CAS REGISTRY NUMBER : 139-94-6 BEILSTEIN REFERENCE NO. : 0218168 LAST UPDATED : 199612 DATA ITEMS CITED : 9 MOLECULAR FORMULA : C6-H8-N4-O3-S MOLECULAR WEIGHT : 216.24 WISWESSER LINE NOTATION : T5N CSJ BMVM2 ENW 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 : 2150 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 41 gm/kg/94W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 395 gm/kg/94W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors MUTATION DATA TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 75 ug/plate REFERENCE : ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 5(Suppl 1),3,1983 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 31,179,1983 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 31,179,1983 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987

安全

• 海关编码: 2934100090

上下游产品

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海关

海关编码	2934100090
中文概述	2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%