S-(1,3-benzothiazol-2-yl)thiohydroxylamine

S-(1,3-benzothiazol-2-yl)thiohydroxylamine 基本信息
CAS号 2801-21-0 分子式 C7H6N2S2
分子量 182.26600 精确质量  181.99700
PSA  92.45000 LogP  2.96240

基本信息 展开↓

CAS号:
2801-21-0
3D弹球模型:
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分子式:
C7H6N2S2
分子量:
182.26600
英文名称:
S-(1,3-benzothiazol-2-yl)thiohydroxylamine
英文别名:
S-(1,3-benzothiazol-2-yl)thiohydroxylamine;
benzothiazole-2-sulfenic acid amide;
2-Benzothiazylsulfenamide;
2-amino-thio-benzthiazole;
2-Benzothiazolylsulfenamide;
benzothiazole-2-sulphenamide;
2-Benzothiazolesulfenamide;
benzothiazolesulphenamide;
2-Sulfenamidobenzothiazole;
S-benzothiazol-2-yl-thiohydroxylamine
精确分子量/精确质量:
181.99700
极性分子表面积/PSA:
92.45000
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。
InChI:
The Key: GPNLWUFFWOYKLP-UHFFFAOYSA-N

物化性质展开↓

密度:
1.45g/cm3
沸点:
359ºC at 760 mmHg
闪点:
170.9ºC
折射率:
1.77
蒸汽压:
2.46E-05mmHg at 25°C

安全信息展开↓

海关代码:
2934999090

合成路线查看所有的合成路线

  • 149-30-4

    2-巯基苯并噻唑

  • ~86%

  • 2801-21-0

    S-(1,3-benzothiazol-2-yl)thiohydroxylamine

  • 2492-26-4

    巯基苯并噻唑钠

  • 2801-21-0

    S-(1,3-benzothiazol-2-yl)thiohydroxylamine

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL6170000
CHEMICAL NAME :
2-Benzothiazolesulfenamide
CAS REGISTRY NUMBER :
2801-21-0
BEILSTEIN REFERENCE NO. :
0128298
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C7-H6-N2-S2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 12,137,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 12,137,1971 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 gm/kg/10D-I
TOXIC EFFECTS :
Cardiac - other changes Kidney, Ureter, Bladder - other changes in urine composition Blood - changes in spleen
REFERENCE :
TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 12,137,1971

海关数据查看详细

中国海关编码:2934999090

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
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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