Cas no 16270-86-3 (Phosphorodithioic acid,S,S'-1,4-dioxane-2,3-diyl O,O,O',O'-tetraethyl ester, trans- (9CI))
16270-86-3 structure
Product Name:Phosphorodithioic acid,S,S'-1,4-dioxane-2,3-diyl O,O,O',O'-tetraethyl ester, trans- (9CI)
CAS No:16270-86-3
MF:C12H26O6P2S4
MW:456.538760662079
CID:162248
PubChem ID:103027
Update Time:2025-04-19
Phosphorodithioic acid,S,S'-1,4-dioxane-2,3-diyl O,O,O',O'-tetraethyl ester, trans- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phosphorodithioic acid,S,S'-1,4-dioxane-2,3-diyl O,O,O',O'-tetraethyl ester, trans- (9CI)
- DTXSID50936729
- Phosphorodithioic acid, S,S'-p-dioxane-2,3-diyl O,O,O',O'-tetraethyl ester, trans-
- 1,4-Dioxane-2,3-S,S'-bis(O,O-diethyl dithiophosphate), cis-isomer
- Phosphorodithioic acid, S,S'-1,4-dioxane-2,3-diyl O,O,O',O'-tetraethyl ester, trans-
- 16270-86-3
- trans-Dioxathion
- trans-2,3-p-Dioxanedithiol-S,S-bis(O,O-diethylphosphorodithioate)
- S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate)
- Phosphorodithioic acid, O,O-diethyl ester, S,S-diester with P-dioxane-2,3-dithiol, (Z)-
-
- Inchi: 1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3/t11-,12-/m0/s1
- InChI Key: VBKKVDGJXVOLNE-RYUDHWBXSA-N
- SMILES: S([C@H]1[C@@H](OCCO1)SP(OCC)(OCC)=S)P(OCC)(OCC)=S
Computed Properties
- Exact Mass: 456.00898
- Monoisotopic Mass: 456.00874723g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 24
- Rotatable Bond Count: 12
- Complexity: 395
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 170?2
Experimental Properties
- PSA: 55.38
Phosphorodithioic acid,S,S'-1,4-dioxane-2,3-diyl O,O,O',O'-tetraethyl ester, trans- (9CI) Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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