CID 158095964

H2CaO8S4 — CID 158095964

About CID 158095964

CID 158095964 (PubChem CID 158095964) has the molecular formula H2CaO8S4 and a molecular weight of 298.35 g/mol.

Molecular Properties

• Compound Name: CID 158095964
• PubChem CID: 158095964
• Molecular Formula: H2CaO8S4
• Molecular Weight: 298.35 g/mol
• Exact Mass: 297.83
• IUPAC Name: —
• SMILES: O=S(O)S(=O)O.O=S([O-])S(=O)[O-].[Ca+2]
• InChI: InChI=1S/Ca.2H2O4S2/c;2*1-5(2)6(3)4/h;2*(H,1,2)(H,3,4)/q+2;;/p-2
• InChIKey: BFQPGIABSMLDTA-UHFFFAOYSA-L
• XLogP: -2.38
• TPSA: 154.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.35
LogP ≤ 5	-2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 158095964?

The IUPAC name of CID 158095964 (CID 158095964) is not available.

What is the SMILES notation for CID 158095964?

The canonical SMILES for CID 158095964 is O=S(O)S(=O)O.O=S([O-])S(=O)[O-].[Ca+2].

What is the InChIKey of CID 158095964?

The InChIKey is BFQPGIABSMLDTA-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.2H2O4S2/c;2*1-5(2)6(3)4/h;2*(H,1,2)(H,3,4)/q+2;;/p-2.

What are the key properties of CID 158095964?

CID 158095964 has a molecular weight of 298.35 g/mol, XLogP of -2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 158095964 is sourced from PubChem (CID 158095964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).