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| CAS No.: | 24345-02-6 |
|---|---|
| Name: | zinc bis[p-toluenesulphinate] |
| Molecular Structure: | |
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| Formula: | C14H14O4S2Zn |
| Molecular Weight: | 375.77856 |
| Synonyms: | Zincp-toluenesulfinate;p-Toluenesulfinic acid, zinc salt (8CI);Benzenesulfinicacid, 4-methyl-, zinc salt (9CI); |
| EINECS: | 246-181-1 |
| Density: | 1.36 g/cm3 |
| Melting Point: | 251 °C (decomp)(Solv: ethanol (64-17-5)) |
| Boiling Point: | 340 °C at 760 mmHg |
| Flash Point: | 159.4 °C |
| PSA: | 118.68000 |
| LogP: | 4.19490 |
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Specification
The CAS registry number of Benzenesulfinic acid,4-methyl-, zinc salt (2:1) is 24345-02-6. It belongs to the product category of Organic-metal salt. This chemical is also named as p-Methylbenzenesulfinic acid,zinc salt. The EINECS registry number of it is 246-181-1. In addition, its molecular formula is C14H14O4S2Zn and molecular weight is 375.77856. Its systematic name is called zinc bis(4-methylbenzenesulfinate).
Physical properties about Benzenesulfinic acid,4-methyl-, zinc salt (2:1) are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.63; (4)ACD/LogD (pH 7.4): -2.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Enthalpy of Vaporization: 61.59 kJ/mol; (13)Boiling Point: 340 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: [Zn+2].O=S([O-])c1ccc(cc1)C.[O-]S(=O)c1ccc(cc1)C
(2)InChI: InChI=1/2C7H8O2S.Zn/c2*1-6-2-4-7(5-3-6)10(8)9;/h2*2-5H,1H3,(H,8,9);/q;;+2/p-2
(3)InChIKey: KHYUFILZGMOXBR-NUQVWONBAO