2,2,4-triethyl-5-methyl-5H-1,3-thiazole

2,2,4-triethyl-5-methyl-5H-1,3-thiazole 基本信息
CAS号 6950-81-8 分子式 C10H19NS
分子量 185.33000 精确质量  185.12400
PSA  37.66000 LogP  2.92460

基本信息 展开↓

CAS号:
6950-81-8
3D弹球模型:
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分子式:
C10H19NS
分子量:
185.33000
中文名称:
2,2,4-triethyl-5-methyl-5H-1,3-thiazole
英文名称:
2,2,4-triethyl-5-methyl-5H-1,3-thiazole
中文别名:
2,2,4-triethyl-5-methyl-5H-1,3-thiazole
英文别名:
2,2,4-triethyl-5-methyl-5H-1,3-thiazole;
Pentanedioic acid,2,2,4-trichloro-,dimethyl ester;
2,2,4-Trichloroglutarsaeuredimethylester;
2,2,4-triethyl-5-methyl-2,5-dihydro-thiazole;
2,2,4-Triaethyl-5-methyl-2,5-dihydro-thiazol
精确分子量/精确质量:
185.12400
极性分子表面积/PSA:
37.66000
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: RBPQBRBFZYKGOQ-UHFFFAOYSA-N

物化性质展开↓

密度:
0.99g/cm3
沸点:
246.8ºC at 760 mmHg
闪点:
103.1ºC
折射率:
1.521

合成路线查看所有的合成路线

  • 96-22-0

    二乙基酮

  • ~34%

  • 6950-81-8

    2,2,4-triethyl-5-methyl-5H-1,3-thiazole

  • 17042-24-9

    mercaptopentanone,2-mercapto-3-pentanone

  • +

  • 631-61-8

    乙酸铵

  • +

  • 96-22-0

    二乙基酮

  • 6950-81-8

    2,2,4-triethyl-5-methyl-5H-1,3-thiazole

  • 72771-07-4

    4,7-Dimethyl-5,6-dithiadecan-3,8-dion

  • +

  • 96-22-0

    二乙基酮

  • 6950-81-8

    2,2,4-triethyl-5-methyl-5H-1,3-thiazole

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ6646050
CHEMICAL NAME :
3-Thiazoline, 5-methyl-2,2,4-triethyl-
CAS REGISTRY NUMBER :
6950-81-8
LAST UPDATED :
199706
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H19-N-S
MOLECULAR WEIGHT :
185.36

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 21,461,1986

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