The IUPAC name of Sodium di-sec-butyl phosphorodithioate is sodium di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane. With the CAS registry number 33619-92-0, it is also named as Phosphorodithioic acid, O,O-di-sec-butyl ester, sodium salt. In addition, its molecular formula is C8H18NaO2PS2 and molecular weight is 264.3209.
The other characteristics of Sodium di-sec-butyl phosphorodithioate can be summarized as: (1)EINECS: 251-598-7; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 6; (5)Exact Mass: 264.038352; (6)MonoIsotopic Mass: 264.038352; (7)Topological Polar Surface Area: 51.6; (8)Heavy Atom Count: 14; (9)Complexity: 176.
People can use the following data to convert to the molecule structure.
(1)SMILES: CC(C)(C)OP(=S)(OC(C)(C)C)S[Na]
(2)InChI: InChI=1/C8H19O2PS2.Na/c1-7(2,3)9-11(12,13)10-8(4,5)6;/h1-6H3,(H,12,13);/q;+1/p-1/rC8H18NaO2PS2/c1-7(2,3)10-12(13,14-9)11-8(4,5)6/h1-6H3
(3)InChIKey: COOVFWBRUNWLSQ-JHYZQPTPAN
(4)Std. InChI: InChI=1S/C8H19O2PS2.Na/c1-7(2,3)9-11(12,13)10-8(4,5)6;/h1-6H3,(H,12,13);/q;+1/p-1
(5)Std. InChIKey: COOVFWBRUNWLSQ-UHFFFAOYSA-M
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