Ethanimidothioic acid, N-hydroxy-, methyl ester, (Z)- | 19125-12-3
Ethanimidothioic acid, N-hydroxy-, methyl ester, (Z)-
19125-12-3
C3H7NOS
105.15878
名称和标识符
InChIKey |
TYEVWCPZVQACAE-ARJAWSKDSA-N |
Inchi |
InChI=1S/C3H7NOS/c1-3(4-5)6-2/h5H,1-2H3/b4-3- |
SMILES |
O/N=C(\SC)/C |
别名信息
- 英文别名 -
- Ethanimidothioic acid, N-hydroxy-, methyl ester, (Z)-
- methyl N-hydroxyethanimidothioate
- Ethanimidothioic acid, N-hydroxy-, methyl ester
- 1-(Methylthio)acetaldehyde oxime
- Methomyl oxime
- Acetohydroximic acid, thio-, methyl ester, (Z)-
- NS00006301
- 19125-12-3
- Thiodicarb metabolite
- SCHEMBL9833288
- syn-Methyl thioacetohydroximate
- 1-(methylsulfanyl)acetaldoxime
- Methyl N-hydroxyacetimidothioate
- 1-(Methylthio)acetaldoxime
- UNII-ZBW229NU99
- Methyl (1Z)-N-hydroxyethanimidothioate #
- Methyl (E)-N-hydroxyethanimidothioate
- (Z)-S-Methyl thioacetohydroximate
- CHEBI:38534
- 13749-94-5
- ZBW229NU99
- Methyl thioacetohydroxamate
物化性质
计算特性
精确分子量 |
105.02483502g/mol |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
1 |
同位素质量 |
105.02483502g/mol |
重原子数量 |
6 |
复杂度 |
61.8 |
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 |
1 |
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) |
0.9 |
拓扑分子极性表面积 |
57.9Ų |
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