2,5-dimethyl-4,5-dihydro-1,3-thiazole

2,5-dimethyl-4,5-dihydro-1,3-thiazole 基本信息
CAS号 4146-19-4 分子式 C5H9NS
分子量 115.19700 精确质量  115.04600
PSA  37.66000 LogP  0.97570

基本信息 展开↓

CAS号:
4146-19-4
3D弹球模型:
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分子式:
C5H9NS
分子量:
115.19700
中文名称:
2,5-dimethyl-4,5-dihydro-1,3-thiazole
英文名称:
2,5-dimethyl-4,5-dihydro-1,3-thiazole
中文别名:
2,5-dimethyl-4,5-dihydro-1,3-thiazole
英文别名:
2,5-dimethyl-4,5-dihydro-1,3-thiazole;
2,5-Dimethyl-4,5-dihydro-thiazol;
2,5-Dimethyl-2-thiazolin;
2,5-dimethyl-2-thiazoline;
Thiazole,4,5-dihydro-2,5-dimethyl;
2,5-Dimethyl-delta2-thiazoline;
4,5-Dihydro-2,5-dimethylthiazole;
2,5-dimethyl-4,5-dihydro-thiazole;
2,5-dimethylthiazoline
精确分子量/精确质量:
115.04600
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: QURBTAPQPXENJD-UHFFFAOYSA-N

物化性质展开↓

密度:
1.13g/cm3
沸点:
147.1ºC at 760 mmHg
闪点:
42.8ºC
折射率:
1.574

安全信息展开↓

海关代码:
2934100090

合成路线查看所有的合成路线

  • 4293-57-6

    N-<2-Hydroxy-propyl>-acetamid

  • ~56%

  • 4146-19-4

    2,5-dimethyl-4,5-dihydro-1,3-thiazole

  • 64-19-7

    乙酸

  • +

  • 78-96-6

    异丙醇胺

  • 4146-19-4

    2,5-dimethyl-4,5-dihydro-1,3-thiazole

  • 2403-33-0

    2-bromopropylamine hydrobromide

  • +

  • 62-55-5

    硫代乙酰胺

  • 4146-19-4

    2,5-dimethyl-4,5-dihydro-1,3-thiazole

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ4252430
CHEMICAL NAME :
Thiazole, 4,5-dihydro-2,5-dimethyl-
CAS REGISTRY NUMBER :
4146-19-4
BEILSTEIN REFERENCE NO. :
0106260
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H9-N-S
MOLECULAR WEIGHT :
115.21

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 :
400 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: 20,16,1985

海关数据查看详细

中国海关编码:2934100090

概述:
2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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