TL;DR: (2-(Mercapto-kappaS)acetato(2-)-kappaO)calcium (CAS 29820-13-1) is a chemical compound with molecular formula C2H2CaO2S and molecular weight 129.94014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium 2-sulfidoacetate
Also Known As: Calcium sulphidoacetate, calcium;2-sulfidoacetate, CALCIUM THIOGLYCOLATE, calciumsulphidoacetate, Calcium thioglycolate (1:1)
| Molecular Formula | C2H2CaO2S |
| Molecular Weight | 129.94014 g/mol |
| XLogP | -2.1 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.94014 Da |
| Heavy Atoms | 6 |
| Complexity | 37.0 |
| SMILES | C(C(=O)[O-])[S-].[Ca+2] |
| InChIKey | QVCFQEFEMBCIOI-UHFFFAOYSA-L |
The XLogP value of -2.1 indicates that (2-(Mercapto-kappaS)acetato(2-)-kappaO)calcium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.1 Ų, (2-(Mercapto-kappaS)acetato(2-)-kappaO)calcium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-(Mercapto-kappaS)acetato(2-)-kappaO)calcium has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2-(Mercapto-kappaS)acetato(2-)-kappaO)calcium is 29820-13-1.
The molecular formula of (2-(Mercapto-kappaS)acetato(2-)-kappaO)calcium is C2H2CaO2S.
The molecular weight of (2-(Mercapto-kappaS)acetato(2-)-kappaO)calcium is 129.94014 g/mol.
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