Cas no 642460-71-7 (Benzenesulfonyl chloride, 4-(hexyloxy)-2,5-dimethyl-)
642460-71-7 structure
Product Name:Benzenesulfonyl chloride, 4-(hexyloxy)-2,5-dimethyl-
CAS No:642460-71-7
MF:C14H21ClO3S
MW:304.832742452621
CID:424478
PubChem ID:43247012
Update Time:2025-04-19
Benzenesulfonyl chloride, 4-(hexyloxy)-2,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, 4-(hexyloxy)-2,5-dimethyl-
- 4-hexoxy-2,5-dimethylbenzenesulfonyl chloride
- 4-(Hexyloxy)-2,5-dimethylbenzene-1-sulfonyl chloride
- DTXSID60655777
- 642460-71-7
-
- Inchi： 1S/C14H21ClO3S/c1-4-5-6-7-8-18-13-9-12(3)14(10-11(13)2)19(15,16)17/h9-10H,4-8H2,1-3H3
- InChI Key： HBWMVRASARPLJQ-UHFFFAOYSA-N
- SMILES： ClS(C1=CC(C)=C(C=C1C)OCCCCCC)(=O)=O
Computed Properties
- Exact Mass: 304.09013
- Monoisotopic Mass: 304.0899934g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 350
- 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
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 43.37
Benzenesulfonyl chloride, 4-(hexyloxy)-2,5-dimethyl- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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