对氨基茴香硫醚 | 104-96-1
对氨基茴香硫醚
4-Methylsulfanylaniline
104-96-1
C7H9NS
139.2181
名称和标识符
MDL |
MFCD00007889 |
InChIKey |
YKFROQCFVXOUPW-UHFFFAOYSA-N |
Inchi |
1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3 |
SMILES |
S(C([H])([H])[H])C1C([H])=C([H])C(=C([H])C=1[H])N([H])[H] |
BRN |
0774506 |
别名信息
- 中文别名 -
- 对氨基茴香硫醚
- 4-(甲基硫代)苯胺
- 4-氨基茴香硫醚
- 4-(甲硫基)苯胺
- 4-(Methylthio)aniline 4-(甲硫基)苯胺
- 4-(甲基巯基)苯胺
- 对甲硫基苯胺
- 对胺基茴香硫醚
- 4-甲硫基苯胺
- 4-(甲基硫代)苯胺,98%
- 英文别名 -
- 4-Amino thioanisole
- 4-Methylmercaptoaniline
- 4-(Methylthio)aniline
- 4-(Methylmercapto)aniline
- 4-methylsulfanylaniline
- p-Thioanisidine
- AKOS 91153
- P-AMINOTHIOANISOLE
- TIMTEC-BB SBB006658
- p-Thiomethoxyaniline
- 4-(Methylmercapto)an
- p-(methylthio)-anilin
- P-(METHYLTHIO)ANILINE
- 4-Aminothioanisole
- Benzenamine, 4-(methylthio)-
- 4-(Methylsulfanyl)aniline
- 4-(Methylthio)benzenamine
- Thioanisidine
- p-Aminophenyl methyl sulfide
- Aniline, p-(methylthio)-
- 4-methylthioaniline
- YKFROQCFVXOUPW-UHFFFAOYSA-N
- 4-
- P-THIOANISIDINE
- 4-AMINOTHIOANISOLE
- 4-(METHYLTHIO)ANILINE
- 4-Methylsulfanylaniline
- (4-(Methylthio)phenyl)amine
- 4-(methylthio) aniline
- 4JM
- 4-methylsulanylaniline
- p-Aminothioanisole
- 4-(Methylsulfanyl)phenylamine
- PS-3196
- F2144-0013
- PILOCARPINENITRATE
- NSC75842
- EN300-21720
- 4-methylthio-aniline
- 104-96-1
- NSC 75842
- CS-W020630
- J-513769
- EINECS 203-256-3
- FT-0601038
- 4-(methylmercapto) aniline
- p-(Methylthio)aniline
- CHEBI:167852
- FNT8J4PB8Y
- AKOS000121048
- NS00015802
- MFCD00007889
- 1-Amino-4-(methylthio)benzene
- (4-methylsulfanyl-phenyl)-amine
- DTXSID7059309
- 4-(methylmercapto)-aniline
- NSC-75842
- 4-methylsulfanylphenylamine
- AC-10934
- 4-methylsulfanyl-aniline
- 4-(Methylsulfanyl)aniline #
- Z104511114
- 4-(Methylthio)aniline, redistilled from glass
- BRN 0774506
- H10709
- 4-amino-phenyl methyl sulfide
- 4-(Methylthio)aniline, 98%
- STR05801
- 4-methylsulfanyl-phenylamine
- Q27454756
- SCHEMBL112595
- A801114
- M1674
物化性质
实验特性
LogP |
2.57190 |
PSA |
51.32000 |
折射率 |
n20/D 1.639(lit.) |
沸点 |
273°C(lit.) |
熔点 |
156 - 158 |
闪点 |
华氏:230 °F 摄氏:110 °C
|
FEMA |
2681 |
颜色与性状 |
无色至棕色液体。 |
溶解性 |
未确定 |
敏感性 |
Stench |
酸度系数(pKa) |
4.35(at 25℃) |
密度 |
1.119 g/mL at 25 °C(lit.) |
计算特性
精确分子量 |
139.04600 |
氢键供体数量 |
1 |
氢键受体数量 |
2 |
可旋转化学键数量 |
1 |
同位素质量 |
139.04557 |
重原子数量 |
9 |
复杂度 |
77 |
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 |
0 |
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) |
1.8 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
51.3 |
海关数据
海关编码 |
2930909090 |
海关数据 |
中国海关编码:
2930909090
概述:
2930909090. 其他有机硫化合物. 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:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
|
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参考资料
Reaxys RN |
774506 |
Beilstein |
13(4)1289 |
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