17654-88-5

• 常用中文名：铋试剂Ⅱ
• 常用英文名：3-phenyl-1,3,4-thiadiazolidine-2,5-dithione
• CAS号：17654-88-5
• 分子式：C₈H₆N₂S₃
• 分子量：226.34200
• 发布时间：2018-07-21 14:52:12
• 更新时间：2024-01-09 23:09:35

名称

• 中文名: 铋试剂Ⅱ
• 英文名: 3-phenyl-1,3,4-thiadiazolidine-2,5-dithione
• 中文别名: 3-苯基-5-疏基-1,3,4-噻唑硫酮; 铋试剂II; 3-苯基-1,3,4-噻二唑亚基-2,5-二硫酮; 5-硫基-3-苯基-2-硫-1,3,4-硫代二唑,钾盐
• 英文别名: 2,5-dithioxo-3-phenyl-1,3,4-thiodiazolidine; 5-Mercapto-2-thioxo-3-phenyl-1,3,4-thiodiazolin; 3-Phenylbismuthol; 2H-1,3,4-Thiadiazole-2-thione,5-mercapto-3-phenyl; Bismuthiol II; EINECS 241-636-0; T0514-8916; 2,5-Dithioxo-3-phenyl-1,3,4-thiodiazolidin; 5-Mercapto-3-phenyl-2H-1,3,4-thiadiazole-2-thione

物化性质

• 密度: 1.58g/cm3
• 沸点: 320ºC at 760mmHg
• 分子式: C₈H₆N₂S₃
• 分子量: 226.34200
• 闪点: 147.3ºC
• 精确质量: 225.96900
• PSA: 116.95000
• LogP: 2.95200
• 蒸汽压: 0.000327mmHg at 25°C
• 折射率: 1.846
• 计算化学:

  1.疏水参数计算参考值（XlogP）:3

  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:1

  5.互变异构体数量:2

  6.拓扑分子极性表面积:105

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:236

  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 : XI4815000 CHEMICAL NAME : 2H-1,3,4-Thiadiazole-2-thione, 5-mercapto-3-phenyl- CAS REGISTRY NUMBER : 17654-88-5 LAST UPDATED : 198712 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C8-H6-N2-S3 MOLECULAR WEIGHT : 226.34 WISWESSER LINE NOTATION : T5NNYSJ BR& CUS ESH HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1096,1986 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 763 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1096,1986

安全

• 海关编码: 2934999090

合成路线

75-15-0 100-63-0 ~86% 17654-88-5

文献：Berceanc, Vasile; Crainic, Crina; Haiduc, Ionel; Mahon, Mary F.; Molloy, Kieran C.; Venter, Monica M.; Wilson, Paul J. Journal of the Chemical Society, Dalton Transactions, 2002 , # 6 p. 1036 - 1045

59166-38-0 ~% 17654-88-5

文献：Journal fuer Praktische Chemie (Leipzig), , vol. 18, p. 275 - 282

123-75-1 ~% 17654-88-5

文献：Journal of the Chemical Society, Dalton Transactions, , # 6 p. 1036 - 1045

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%