Cas no 642460-60-4 (Benzenesulfonyl chloride, 4-(hexyloxy)-2-methyl-5-(1-methylethyl)-)
642460-60-4 structure
Product Name:Benzenesulfonyl chloride, 4-(hexyloxy)-2-methyl-5-(1-methylethyl)-
CAS No:642460-60-4
MF:C16H25ClO3S
MW:332.885903120041
CID:424481
PubChem ID:43134341
Update Time:2025-04-19
Benzenesulfonyl chloride, 4-(hexyloxy)-2-methyl-5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, 4-(hexyloxy)-2-methyl-5-(1-methylethyl)-
- 4-hexoxy-2-methyl-5-propan-2-ylbenzenesulfonyl chloride
- DTXSID40655472
- 642460-60-4
- 4-(Hexyloxy)-2-methyl-5-(propan-2-yl)benzene-1-sulfonyl chloride
-
- Inchi： 1S/C16H25ClO3S/c1-5-6-7-8-9-20-15-10-13(4)16(21(17,18)19)11-14(15)12(2)3/h10-12H,5-9H2,1-4H3
- InChI Key： QHSOPBZHCZUAJU-UHFFFAOYSA-N
- SMILES： ClS(C1C(C)=CC(=C(C=1)C(C)C)OCCCCCC)(=O)=O
Computed Properties
- Exact Mass: 332.12145
- Monoisotopic Mass: 332.1212935g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 8
- Complexity: 389
- 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: 5.7
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 43.37
Benzenesulfonyl chloride, 4-(hexyloxy)-2-methyl-5-(1-methylethyl)- Related Literature
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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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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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