5-羧基-1-戊硫醇,6-Mercaptohexanoic acid | 17689-17-7
中文名称：
5-羧基-1-戊硫醇,6-Mercaptohexanoic acid
英文名称：
6-Mercaptohexanoic Acid
CAS No.：
17689-17-7
分子式：
C6 H1 2 O2 S
分子量：
148.22328
名称和标识符
MDL
MFCD08705278
InChIKey
CMNQZZPAVNBESS-UHFFFAOYSA-N
Inchi
InChI=1S/C6H12O2S/c7-6(8)4-2-1-3-5-9/h9H,1-5H2,(H,7,8)
SMILES
C(CCC(=O)O)CCS
别名信息
- 中文别名 -
5-羧基-1-戊硫醇
6-硫基己酸
6-巯基己酸
9-蒽甲酸乙酯
5-羧基-1-戊硫醇,6-Mercaptohexanoic acid
- 英文别名 -
Hexanoic acid,6-mercapto-
6-Mercaptohexanoic Acid
6-SULFANYLHEXANOIC ACID
5-carboxy-1-pentanethiol
6-Mercapto-capronsaeure
6-Mercapto-hexansaeure
Hexanoic acid,6-mercapto
thiohexanoic acid
MHA
6-Mercaptohexanoic acid,MHA
6-Mercaptohexanoic acid 90%
6-Mercaptohexanoic acid ,97%
6-Mercaptohexanoic acid≥ 96% (assay)
5-CARBOXY-1-PENTANETHIOL
6-sulfanylhexanoic acid
6-Mercaptohexanoicacid
NSC-310239
FT-0777852
SCHEMBL173209
6-Mercaptohexanoic acid, 90%
NSC310239
17689-17-7
AKOS006380117
F87188
BDBM50404848
Hexanoic acid, 6-mercapto-
MFCD08705278
DTXSID60317045
6-Mercapto-hexanoic acid
J-011240
CHEMBL78998
EN300-1654205
6-Mercaptohexanoic acid
CMNQZZPAVNBESS-UHFFFAOYSA-N
物化性质
实验特性
LogP
1.56120
PSA
76.10000
折射率
n20/D 1.4846
颜色与性状
不确定
溶解性
不确定
密度
1.0715 g/mL at 25 °C
计算特性
精确分子量
148.05600
氢键供体数量
1
氢键受体数量
2
可旋转化学键数量
5
同位素质量
148.05580079g/mol
重原子数量
9
复杂度
83.1
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）
无
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
38.3Ų
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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