Cas no 53121-59-8 (phenyl-phosphonothioic acid propyl ester)
53121-59-8 structure
Product Name:phenyl-phosphonothioic acid propyl ester
CAS No:53121-59-8
MF:C9H13O2PS
MW:216.237082242966
CID:937979
PubChem ID:11499506
Update Time:2025-04-19
phenyl-phosphonothioic acid propyl ester Chemical and Physical Properties
Names and Identifiers
-
- phenyl-phosphonothioic acid propyl ester
- hydroxy-phenyl-propoxy-sulfanylidene-λ<sup>5</sup>-phosphane
- AG-F-81858
- AGN-PC-00ACAU
- CTK4J7101
- Kalium-O-propylphenylphosphorthioat
- DB-255951
- AKOS015965764
- 53121-59-8
- DTXSID10467620
-
- Inchi： 1S/C9H13O2PS/c1-2-8-11-12(10,13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,10,13)
- InChI Key： LLEYANVBVMPFPY-UHFFFAOYSA-N
- SMILES： S=P(C1C=CC=CC=1)(O)OCCC
Computed Properties
- Exact Mass: 216.03738782g/mol
- Monoisotopic Mass: 216.03738782g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 190
- 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: 3.1
- Topological Polar Surface Area: 61.6?2
phenyl-phosphonothioic acid propyl ester Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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