2,2-dimethylthiomorpholin-3-one

2,2-dimethylthiomorpholin-3-one 基本信息
CAS号 50847-92-2 分子式 C6H11NOS
分子量 145.22300 精确质量  145.05600
PSA  54.40000 LogP  0.95680

基本信息 展开↓

CAS号:
50847-92-2
3D弹球模型:
立即前往扯扯看
分子式:
C6H11NOS
分子量:
145.22300
英文名称:
2,2-dimethylthiomorpholin-3-one
英文别名:
2,2-dimethylthiomorpholin-3-one;
2,2-Dimethyl-3-thiomorpholinone;
3-Oxo-2.2-dimethyl-thiomorpholin;
2.2-Dimethyl-3-oxo-thiomorpholin;
3-Thiomorpholinone,2,2-dimethyl;
2,2-Dimethyl-3-thiomorpholone;
2,2-dimethyl-thiomorpholin-3-one;
2,2-Dimethyl-thiomorpholin-3-on;
2,2-dimethyl-3-oxothiomorpholine
精确分子量/精确质量:
145.05600
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: HWPDXZVUBFSYIE-UHFFFAOYSA-N

合成路线查看所有的合成路线

  • 600-00-0

    2-溴-2-甲基丙酸乙酯

  • 50847-92-2

    2,2-dimethylthiomorpholin-3-one

  • 151-56-4

    乙烯亚胺

  • +

  • 33441-50-8

    2-疏基-2-甲基丙酸乙酯

  • 50847-92-2

    2,2-dimethylthiomorpholin-3-one

  • 600-00-0

    2-溴-2-甲基丙酸乙酯

  • +

  • 60-23-1

    β-巯基乙胺

  • 50847-92-2

    2,2-dimethylthiomorpholin-3-one

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XM3064000
CHEMICAL NAME :
3-Thiomorpholinone, 2,2-dimethyl-
CAS REGISTRY NUMBER :
50847-92-2
BEILSTEIN REFERENCE NO. :
0112495
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H11-N-O-S
MOLECULAR WEIGHT :
145.24
WISWESSER LINE NOTATION :
T6MV DSTJ C1 C1

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 :
3423 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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

上下游相关产品

上游产品

更多
  • 600-00-0

    2-溴-2-甲基丙酸乙酯

  • 60-23-1

    β-巯基乙胺

  • 151-56-4

    乙烯亚胺

  • 33441-50-8

    2-疏基-2-甲基丙酸乙酯

下游产品

更多
  • 3970-89-6

    2,2-dimethylthiomorpholine

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便