Cas no 61517-53-1 (Sulfamoyl chloride, (1-propylbutyl)-)
61517-53-1 structure
Product Name:Sulfamoyl chloride, (1-propylbutyl)-
CAS No:61517-53-1
MF:C7H16ClNO2S
MW:213.72544002533
CID:476490
PubChem ID:55279093
Update Time:2025-04-19
Sulfamoyl chloride, (1-propylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Sulfamoyl chloride, (1-propylbutyl)-
- N-heptan-4-ylsulfamoyl chloride
- 61517-53-1
- AKOS006332787
- DTXSID30717290
- Heptan-4-ylsulfamyl chloride
-
- Inchi： 1S/C7H16ClNO2S/c1-3-5-7(6-4-2)9-12(8,10)11/h7,9H,3-6H2,1-2H3
- InChI Key： AOUNPNMLKBMKLQ-UHFFFAOYSA-N
- SMILES： ClS(NC(CCC)CCC)(=O)=O
Computed Properties
- Exact Mass: 213.05918
- Monoisotopic Mass: 213.0590276g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 192
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 54.6?2
Experimental Properties
- PSA: 46.17
Sulfamoyl chloride, (1-propylbutyl)- Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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