HCID539946

2-Methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid

6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylic acid

C6H8O3S160.19 g/molCAS 6577-69-1

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IDENTITY

结构与身份

标准SMILES: CC1=C(C(=O)O)SCCO1
InChIKey: JMKSQPHJYIHKQU-UHFFFAOYSA-N
分子式: C6H8O3S
平均分子量: 160.19 g/mol
单同位素质量: 160.01941529

COMPUTED

结构计算性质

等待补全

XLogP: 0
极性表面积: 71.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 185

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 31 条

2-Methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid6577-69-1DTXSID20337204RefChem:475632DTXCID70288292847-611-66-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylic acidMFCD006668515,6-dihydro-2-methyl-1,4-oxathiin-3-carboxylic acidF2163-00122-Methyl-5,6-dihydro-1,4-oxathiin carboxylic acidChemDiv3_0127526-methyl-2,3-dihydro-1,4-oxathiin-5-carboxylic acidSCHEMBL7833221HMS1509D14SMSSF-0533601SBB082186AKOS002113018MS-20483SY031194

REACTIONS

相关反应

33 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-1993_12 · 10.6084/m9.figshare.5104873.v1 · US05268389

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uspto-grants-1993_12 · 10.6084/m9.figshare.5104873.v1 · US05268389

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