Ethane,(methylsulfinyl)- (9CI) | 1669-98-3
英文名称:
Ethane,(methylsulfinyl)- (9CI)
CAS No.:
1669-98-3
分子式:
C3 H8 OS
分子量:
92.16002
名称和标识符
InChIKey
VTRRCXRVEQTTOE-UHFFFAOYSA-N
Inchi
InChI=1S/C3H8OS/c1-3-5(2)4/h3H2,1-2H3
SMILES
CCS(=O)C
别名信息
- 英文别名 -
Ethane,(methylsulfinyl)- (9CI)
1-methylsulfinylethane
ETHYLMETHYLSULPHOXIDE
(methylsulfinyl)ethane
BRN 1736654
Methyl ethyl sulphoxide
Sulfoxide, ethyl methyl
Methyl ethyl sulfoxide
(METHYLSULFINYL)ETHANE
3-01-00-01370 (Beilstein Handbook Reference)
(+/-)-ETHYL METHYL SULFOXIDE
1-(methylsulfinyl)ethane
AAJ84LR4D8
AKOS028114619
DTXSID30937254
1669-98-3
CHEMBL278882
ETHYL METHYL SULFOXIDE
Ethane, (methylsulfinyl)-
Q27273832
methyl ethyl sulfoxide
Methanesulfinyl-ethane
(Methanesulfinyl)ethane
BDBM50224832
UNII-AAJ84LR4D8
物化性质
实验特性
计算特性
精确分子量
92.02964
氢键供体数量
0
氢键受体数量
2
可旋转化学键数量
1
同位素质量
92.02958605g/mol
重原子数量
5
复杂度
42.2
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
1
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)
-0.3
拓扑分子极性表面积
36.3Ų
相关文献
1.
Synthesis, structure, and interconversion of chiral rhenium oxygen- and sulfur-bound sulfoxide complexes of formula [(η5-C5H5)Re(NO)(PPh3)(OS(Me)R)]+ X?; diastereoselective oxidations of coordinated methyl alkyl sulfides
Michael Otto,Brian J. Boone,Atta M. Arif,J. A. Gladysz J. Chem. Soc. Dalton Trans. 2001 1218
2.
Binary mixtures of novel sulfoxides and water: intermolecular structure, dynamic properties, thermodynamics, and cluster analysis
Vitaly V. Chaban Phys. Chem. Chem. Phys. 2018 20 23754
3.
Force field development and simulations of senior dialkyl sulfoxides
Vitaly V. Chaban Phys. Chem. Chem. Phys. 2016 18 10507
4.
Synthesis and functionalization of calix[4]arene-based carceplexes
André M. A. van Wageningen,John P. M. van Duynhoven,Willem Verboom,David N. Reinhoudt J. Chem. Soc. Chem. Commun. 1995 1941
5.
Liquid structure of dibutyl sulfoxide
Fabrizio Lo Celso,Bachir Aoun,Alessandro Triolo,Olga Russina Phys. Chem. Chem. Phys. 2016 18 15980
6.
Deconvolution of supramolecular tectons and analysis of the structural role of the anions for two “wheel-and-axle” silver complexes
Alessia Bacchi,Elsa Bosetti,Mauro Carcelli,Paolo Pelagatti,Dominga Rogolino CrystEngComm 2004 6 177
7.
Contents pages
J. Chem. Soc. Chem. Commun. 1995 P191
Ethane,(methylsulfinyl)- (9CI)推荐生产厂家