6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-8-[(3-pyridin
- 中文别名：8-[(3-吡啶甲基)硫代]-3,7-二氢-1,3-二甲基-2-硫代-1H-嘌呤-6-酮
- 英文别名：1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)-2-sulfanylidene-7H-purin-6-one;
1,3-dimethyl-8-[(pyridin-3-ylmethyl)sulfanyl]-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one;
8-((3-Pyridylmethyl)thio)-2-thiotheophylline;
Theophylline,8-((3-pyridylmethyl)thio)-2-thio
- cas No.：6466-15-5
- 分子式：C13H13N5OS2
- 分子量：319.4052
- 精确分子量：319.05600
- PSA：125.89000
- InChI：The Key: OCFFPNDSXCDKMN-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.54g/cm3
- 沸点：
- 581.9ºC at 760mmHg
- 闪点：
- 305.7ºC
- 折射率：
- 1.758
安全信息
- 密度：
- 1.54g/cm3
- 沸点：
- 581.9ºC at 760mmHg
- 闪点：
- 305.7ºC
- 折射率：
- 1.758
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH6497200
- CHEMICAL NAME :
- Theophylline, 8-((3-pyridylmethyl)thio)-2-thio-
- CAS REGISTRY NUMBER :
- 6466-15-5
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H13-N5-O-S2
- MOLECULAR WEIGHT :
- 319.43
- WISWESSER LINE NOTATION :
- T56 BM DN FNYNVJ F1 GUS H1 CS1- CT6NJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#06845
