Cas no 80-45-5 (Benzenesulfonic acid, pentyl ester)
80-45-5 structure
Product Name:Benzenesulfonic acid, pentyl ester
CAS No:80-45-5
MF:C11H16O3S
MW:228.307942390442
CID:705593
PubChem ID:12441428
Update Time:2025-04-19
Benzenesulfonic acid, pentyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid, pentyl ester
- n-Pentyl Benzenesulfonate
- pentyl benzenesulfonate
- DTXSID50498392
- starbld0029137
- SCHEMBL537767
- AKOS030254232
- 80-45-5
-
- Inchi： 1S/C11H16O3S/c1-2-3-7-10-14-15(12,13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
- InChI Key： NMIXYXGUYJTFFQ-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(=O)(=O)OCCCCC
Computed Properties
- Exact Mass: 228.08201554g/mol
- Monoisotopic Mass: 228.08201554g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 248
- 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: 3
- Topological Polar Surface Area: 51.8?2
Benzenesulfonic acid, pentyl ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
80-45-5 (Benzenesulfonic acid, pentyl ester) Related Products
- 3839-35-8(Hexyl p-Toluenesulfonate)
- 27177-77-1(Benzenesulfonic acid,dodecyl-, potassium salt (1:1))
- 3386-32-1(Octadecyl p-Toluenesulfonate)
- 3386-35-4(n-Octyl-p-Toluenesulfonate)
- 778-28-9(Butyl 4-methylbenzenesulfonate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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