Cas no 1085-25-2 (Phosphorothioic acid,O,O-dimethyl O-(2-methyl-4-nitrophenyl) ester)
1085-25-2 structure
Product Name:Phosphorothioic acid,O,O-dimethyl O-(2-methyl-4-nitrophenyl) ester
CAS No:1085-25-2
MF:C9H12NO5PS
MW:277.234042167664
CID:170565
PubChem ID:121001
Update Time:2025-04-19
Phosphorothioic acid,O,O-dimethyl O-(2-methyl-4-nitrophenyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphorothioic acid,O,O-dimethyl O-(2-methyl-4-nitrophenyl) ester
- 2-Methylfenitrothion
- BAY43727
- o-Cresol, 4-nitro-,O-ester with O,O-dimethyl phosphorothioate (8CI)
- Phosphorothioicacid, O,O-dimethyl O-(4-nitro-o-tolyl) ester (7CI,8CI)
- Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester
- Phosphorothioic acid, O,O-dimethyl O-(2-methyl-4-nitrophenyl)ester
- 2-Methyl-4-nitrophenyl dimethyl phosphorothioate
- 1085-25-2
- DTXSID60910752
- o,o-dimethyl o-(2-methyl-4-nitrophenyl) phosphorothioate
- BRN 2145595
- O,O-Dimethyl O-(4-nitro-o-tolyl) phosphorothioate
-
- Inchi： 1S/C9H12NO5PS/c1-7-6-8(10(11)12)4-5-9(7)15-16(17,13-2)14-3/h4-6H,1-3H3
- InChI Key： JUCIDFBWKTXZNR-UHFFFAOYSA-N
- SMILES： S=P(OC)(OC)OC1C=CC(=CC=1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 277.01746
- Monoisotopic Mass: 277.01738065g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 313
- 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: 3.3
- Topological Polar Surface Area: 106?2
Experimental Properties
- PSA: 70.83
Phosphorothioic acid,O,O-dimethyl O-(2-methyl-4-nitrophenyl) ester Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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