Cas no 52693-47-7 (Propane-2-sulfinic acid methyl ester)
52693-47-7 structure
Product Name:Propane-2-sulfinic acid methyl ester
CAS No:52693-47-7
MF:C4H10O2S
MW:122.186000347137
CID:2188482
PubChem ID:536268
Update Time:2025-04-21
Propane-2-sulfinic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propane-2-sulfinic acid methyl ester
- 2-Propanesulfinic acid, methyl ester
- Methyl isopropanesulfinate
- Methyl 2-propanesulfinate #
- 52693-47-7
- SCHEMBL14515861
- DB-298919
- AOZRDMYNXRQAAI-UHFFFAOYSA-N
-
- Inchi： 1S/C4H10O2S/c1-4(2)7(5)6-3/h4H,1-3H3
- InChI Key： AOZRDMYNXRQAAI-UHFFFAOYSA-N
- SMILES： S(C(C)C)(=O)OC
Computed Properties
- Exact Mass: 122.04015073Da
- Monoisotopic Mass: 122.04015073Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 70.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 45.5?2
Propane-2-sulfinic acid methyl ester Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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