二苯甲酰二硫化硫胺

二苯甲酰二硫化硫胺 基本信息
CAS号 2667-89-2 分子式 C38H42N8O6S2
分子量 770.92000 精确质量  770.26700
PSA  247.42000 LogP  8.43760

基本信息 展开↓

CAS号:
2667-89-2
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分子式:
C38H42N8O6S2
分子量:
770.92000
中文名称:
二苯甲酰二硫化硫胺
英文名称:
Bisbentiamine
中文别名:
二苯甲酰二硫化硫胺;
双苯酰硫胺
英文别名:
Bisbentiamine;
BENZOYLTHIAMINEDISULPHIDE;
bis(o-benzoylthiamine)disulfide;
bisbenthiamine;
O-benzoylthiamine disulfide;
BISBENTIAMINE DISULFIDE;
beprocin;
beston;
Thiamindisulfid-monosulfoxid-O-benzoylester;
O-Benzoylthiamindisulfid;
Bisbentiamin;
dibenzoate(ester);
N,N'-bis-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N,N'-[2,5-bis-(2-benzoyloxy-ethyl)-1,6-dimethyl-3,4-dithia-hexa-1,5-diene-1,6-diyl]-bis-formamide;
benzoylthiaminedisulfide;
btds
精确分子量/精确质量:
770.26700
极性分子表面积/PSA:
247.42000
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。
EINECS:
220-206-6
InChI:
The Key: IWXAZSAGYJHXPX-LYWFMZLMSA-N

物化性质展开↓

密度:
1.331g/cm3
熔点:
140-145ºC
沸点:
987.4ºC at 760mmHg
闪点:
551ºC
折射率:
1.654
蒸汽压:
0mmHg at 25°C

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LQ2720000
CHEMICAL NAME :
Formamide, N,N'-(dithiobis(2-(2-hydroxyethyl)-1-methylvinylene)) bis(N-((4-amino-2-met hyl- 5-pyrimidinyl)methyl)-, dibenzoate (ester)
CAS REGISTRY NUMBER :
2667-89-2
BEILSTEIN REFERENCE NO. :
0741598
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C38-H42-N8-O6-S2
MOLECULAR WEIGHT :
771.00
WISWESSER LINE NOTATION :
T6N CNJ B1 DZ E1NVHY1&UY2OVR&SSY2OVR&UY1&NVH1- ET6N CNJ B1 DZ

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 :
9 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,609,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
194 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,609,1982
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