5-ethyl-2,2-dimethylthiomorpholin-3-one

5-ethyl-2,2-dimethylthiomorpholin-3-one 基本信息
CAS号 69226-12-6 分子式 C8H15NOS
分子量 173.27600 精确质量  173.08700
PSA  54.40000 LogP  1.73540

基本信息 展开↓

CAS号:
69226-12-6
3D弹球模型:
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分子式:
C8H15NOS
分子量:
173.27600
英文名称:
5-ethyl-2,2-dimethylthiomorpholin-3-one
英文别名:
5-ethyl-2,2-dimethylthiomorpholin-3-one;
5-Aethyl-2,2-dimethyl-thiomorpholin-3-on;
5-ethyl-2,2-dimethyl-thiomorpholin-3-one;
3-Oxo-2.2-dimethyl-5-aethyl-thiomorpholin;
2,2-Dimethyl-5-ethyl-3-thiomorpholinone;
3-Thiomorpholinone,2,2-dimethyl-5-ethyl
精确分子量/精确质量:
173.08700
极性分子表面积/PSA:
54.40000
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: UYRUCWOYLKIGPJ-UHFFFAOYSA-N

物化性质展开↓

密度:
0.993g/cm3
沸点:
321.4ºC at 760 mmHg
闪点:
148.2ºC
折射率:
1.47

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  • 69226-12-6

    5-ethyl-2,2-dimethylthiomorpholin-3-one

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XM3068000
CHEMICAL NAME :
3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-
CAS REGISTRY NUMBER :
69226-12-6
BEILSTEIN REFERENCE NO. :
0119922
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H15-N-O-S
MOLECULAR WEIGHT :
173.30
WISWESSER LINE NOTATION :
T6MV DSTJ C1 C1 F2

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 :
593 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,136,1963

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