Cas no 5318-93-4 (Phosphorodithioic acid,O-cyclohexyl O-ethyl S-[(ethylthio)methyl] ester (7CI,8CI))
5318-93-4 structure
Product Name:Phosphorodithioic acid,O-cyclohexyl O-ethyl S-[(ethylthio)methyl] ester (7CI,8CI)
CAS No:5318-93-4
MF:C12H15NO5S
MW:285.316202402115
CID:380451
PubChem ID:722896
Update Time:2025-04-19
Phosphorodithioic acid,O-cyclohexyl O-ethyl S-[(ethylthio)methyl] ester (7CI,8CI) Chemical and Physical Properties
Names and Identifiers
-
- Phosphorodithioic acid,O-cyclohexyl O-ethyl S-[(ethylthio)methyl] ester (7CI,8CI)
- 4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine
- 4-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-morpholine
- morpholine, 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]-
- CBMicro_017473
- CCG-6045
- 5318-93-4
- Oprea1_858495
- Oprea1_665165
- Z45515801
- DivK1c_005009
- CDS1_003969
- 4-(2,3-DIHYDRO-1,4-BENZODIOXINE-6-SULFONYL)MORPHOLINE
- BIM-0017441.P001
- DTXSID50967699
- AKOS000384167
-
- Inchi: 1S/C12H15NO5S/c14-19(15,13-3-5-16-6-4-13)10-1-2-11-12(9-10)18-8-7-17-11/h1-2,9H,3-8H2
- InChI Key: RXGJPWDHLIDOTG-UHFFFAOYSA-N
- SMILES: S(C1C=CC2=C(C=1)OCCO2)(N1CCOCC1)(=O)=O
Computed Properties
- Exact Mass: 285.06715
- Monoisotopic Mass: 285.067093
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 401
- 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
- Topological Polar Surface Area: 73.4
- XLogP3: 0.4
Experimental Properties
- Density: 1.393
- Boiling Point: 452.8°C at 760 mmHg
- Flash Point: 227.6°C
- Refractive Index: 1.582
- PSA: 65.07
Phosphorodithioic acid,O-cyclohexyl O-ethyl S-[(ethylthio)methyl] ester (7CI,8CI) Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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