Cas no 7647-13-4 (2-Propene-1-sulfonicacid, ammonium salt (1:1))
7647-13-4 structure
Product Name:2-Propene-1-sulfonicacid, ammonium salt (1:1)
CAS No:7647-13-4
MF:C3H9NO3S
MW:139.173459768295
CID:569848
PubChem ID:3014573
Update Time:2025-04-19
2-Propene-1-sulfonicacid, ammonium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 2-Propene-1-sulfonicacid, ammonium salt (1:1)
- ammonium prop-2-enesulphonate
- azanium,prop-2-ene-1-sulfonate
- ammonium prop-2-ene-1-sulfonate
- Ammonium prop-2-enesulfonate
- EINECS 231-597-8
- DTXSID40227274
- NS00081808
- 7647-13-4
-
- Inchi： 1S/C3H6O3S.H3N/c1-2-3-7(4,5)6;/h2H,1,3H2,(H,4,5,6);1H3
- InChI Key： URDBDUGGLGARJQ-UHFFFAOYSA-N
- SMILES： S(CC=C)(=O)(=O)[O-].[NH4+]
Computed Properties
- Exact Mass: 139.03037
- Monoisotopic Mass: 139.030314
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 125
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 66.6
Experimental Properties
- Boiling Point: 316.7°C at 760 mmHg
- Flash Point: 145.3°C
- PSA: 93.7
2-Propene-1-sulfonicacid, ammonium salt (1:1) Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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