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苯并噻唑,2-[(2,6-二甲基-4-吗啉基)硫代]- | 102-78-3
苯并噻唑,2-[(2,6-二甲基-4-吗啉基)硫代]- | 102-78-3
中文名称:
苯并噻唑,2-[(2,6-二甲基-4-吗啉基)硫代]-
英文名称:
Benzothiazole,2-[(2,6-dimethyl-4-morpholinyl)thio]-
CAS No.:
102-78-3
分子式:
C1 3 H1 6 N2 OS2
分子量:
280.40900
名称和标识符
InChIKey
DNPSGCQXSGVQSK-UHFFFAOYSA-N
Inchi
InChI=1S/C13H16N2OS2/c1-9-7-15(8-10(2)16-9)18-13-14-11-5-3-4-6-12(11)17-13/h3-6,9-10H,7-8H2,1-2H3
SMILES
CC1OC(C)CN(SC2=NC3=CC=CC=C3S2)C1
别名信息
- 英文别名 -
Benzothiazole,2-[(2,6-dimethyl-4-morpholinyl)thio]-
4-(1,3-benzothiazol-2-ylsulfanyl)-2,6-dimethylmorpholine
4-(benzothiazol-2-ylthio)-2,6-dimethylmorpholine
2-(2,6-dimethyl-morpholin-4-ylsulfanyl)-benzothiazole
2-(2,6-Dimethylmorpholinosulfenyl)-benzothiazol
2-(2,6-Dimethylmorpholinothio)benzothiazol
4-(benzo[d]thiazol-2-ylthio)-2,6-dimethylmorpholine
4-(Benzothiazol-2-sulfenyl)-2,6-dimethyl-morpholin
4-(benzothiazole-2-sulfenyl)-2,6-dimethyl-morpholine
EINECS 203-054-5
Morpholine,4-(2-benzothiazolylthio)-2,6-dimethyl
2-(2,6-DIMETHYLMORPHOLINOTHIO)BENZOTHIAZOLE
4-(2-Benzothiazolylthio)-2,6-dimethylmorpholine
Morpholine, 4-(2-benzothiazolylthio)-2,6-dimethyl-
Benzothiazole, 2-((2,6-dimethyl-4-morpholinyl)thio)-
SCHEMBL79799
SCHEMBL79799
DTXSID80861712
DTXSID80861712
Benzothiazole, 2-[(2,6-dimethyl-4-morpholinyl)thio]-
Benzothiazole, 2-[(2,6-dimethyl-4-morpholinyl)thio]-
2-[(2,6-Dimethyl-4-morpholinyl)sulfanyl]-1,3-benzothiazole #
2-[(2,6-Dimethyl-4-morpholinyl)sulfanyl]-1,3-benzothiazole #
NS00041500
NS00041500
DNPSGCQXSGVQSK-UHFFFAOYSA-N
DNPSGCQXSGVQSK-UHFFFAOYSA-N
4-(Benzothiazol-2-ylthio)-2,6-dimethylmorpholine
4-(Benzothiazol-2-ylthio)-2,6-dimethylmorpholine
2-(2',6'-Dimethyl-4-morpholinothio)benzothiazole
2-(2',6'-Dimethyl-4-morpholinothio)benzothiazole
102-78-3
102-78-3
Einecs 203-054-5
Einecs 203-054-5
物化性质
实验特性
LogP
3.35050
PSA
78.90000
计算特性
精确分子量
280.07000
氢键供体数量
0
氢键受体数量
5
可旋转化学键数量
2
同位素质量
280.07040549g/mol
重原子数量
18
复杂度
282
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
2
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
3.5
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
78.9Ų
海关数据
海关编码
2934999090
海关数据
中国海关编码:
2934999090
概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 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
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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