2H-Purin-2-one,1,3,6,7-tetrahydro-1,3,7-trimethyl-6-thioxo-
- 中文别名：6-硫代咖啡因
- 英文别名：1,3,7-trimethyl-6-sulfanylidenepurin-2-one;
1,3,7-trimethyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-one;
M &1,3,7-Trimethyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-on;
CAFFEINE,6-THIO;
7-methyl-6-thioxanthine;
2H-Purin-2-one,1,3,6,7-tetrahydro-1,3,7-trimethyl-6-thioxo;
B 6227;
1,3,7-Trimethyl-2-oxo-6-thioxo-1,2,3,6-tetrahydro-7H-purin;
6-Thiocaffeine
- CAS No.：13182-58-6
- 分子式：C8H10N4OS
- 分子量：0
- 精确分子量：210.05800
- PSA：76.84000
- InChI：The Key: PYUDRFSIKNBDQS-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.45g/cm3
- 沸点：
- 416.6ºC at 760mmHg
- 闪点：
- 205.8ºC
- 折射率：
- 1.714
- 蒸汽压：
- 3.76E-07mmHg at 25°C
安全信息
- 密度：
- 1.45g/cm3
- 沸点：
- 416.6ºC at 760mmHg
- 闪点：
- 205.8ºC
- 折射率：
- 1.714
- 蒸汽压：
- 3.76E-07mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EV6640100
- CHEMICAL NAME :
- Caffeine, 6-thio-
- CAS REGISTRY NUMBER :
- 13182-58-6
- BEILSTEIN REFERENCE NO. :
- 0205182
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H10-N4-O-S
- MOLECULAR WEIGHT :
- 210.28
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 :
- 960 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 17,196,1961
