Cas no 22598-39-6 (Chlorosulfurous acid, butyl ester)
22598-39-6 structure
Product Name:Chlorosulfurous acid, butyl ester
CAS No:22598-39-6
MF:C4H9ClO2S
MW:156.631059408188
CID:1411102
PubChem ID:23270425
Update Time:2025-04-20
Chlorosulfurous acid, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Chlorosulfurous acid, butyl ester
- 1-chlorosulfinyloxybutane
- Butyl sulfurochloridoite
- 22598-39-6
- DTXSID20632064
- Butyl-chlorsulfit
-
- Inchi： 1S/C4H9ClO2S/c1-2-3-4-7-8(5)6/h2-4H2,1H3
- InChI Key： SMBCCRRPZMKSML-UHFFFAOYSA-N
- SMILES： ClS(=O)OCCCC
Computed Properties
- Exact Mass: 156.00127
- Monoisotopic Mass: 156.0011784g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 76.4
- 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: 2.1
- Topological Polar Surface Area: 45.5?2
Experimental Properties
- PSA: 26.3
Chlorosulfurous acid, butyl ester Related Literature
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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