Cas no 125643-59-6 (Phosphorodithioic acid,mixed O,O-bis(iso-Bu and iso-Pr) esters)
125643-59-6 structure
Product Name:Phosphorodithioic acid,mixed O,O-bis(iso-Bu and iso-Pr) esters
CAS No:125643-59-6
MF:C7H17O2PS2
MW:228.312440633774
CID:196485
PubChem ID:86377
Update Time:2025-04-19
Phosphorodithioic acid,mixed O,O-bis(iso-Bu and iso-Pr) esters Chemical and Physical Properties
Names and Identifiers
-
- Phosphorodithioic acid,mixed O,O-bis(iso-Bu and iso-Pr) esters
- 2-methylpropoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ<sup>5</sup>-phosphane
- DTXSID50925198
- 125643-59-6
- O-(2-Methylpropyl) O-propan-2-yl hydrogen phosphorodithioate
- 769878-53-7
-
- Inchi： 1S/C7H17O2PS2/c1-6(2)5-8-10(11,12)9-7(3)4/h6-7H,5H2,1-4H3,(H,11,12)
- InChI Key： IYQRQKHKWJUYEM-UHFFFAOYSA-N
- SMILES： SP(OC(C)C)(OCC(C)C)=S
Computed Properties
- Exact Mass: 228.04091
- Monoisotopic Mass: 228.04075913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 171
- 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: 3.8
- Topological Polar Surface Area: 51.6?2
Experimental Properties
- PSA: 18.46
Phosphorodithioic acid,mixed O,O-bis(iso-Bu and iso-Pr) esters Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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