bis(antimony(3+));2,3-bis(sulfanyl)butanedioate;2,3-bis(sulfanyl)butanedioic acid;2,3-disulfidobutanedioate

C12H12O12S6Sb2 — CID 101332025

About bis(antimony(3+));2,3-bis(sulfanyl)butanedioate;2,3-bis(sulfanyl)butanedioic acid;2,3-disulfidobutanedioate

bis(antimony(3+));2,3-bis(sulfanyl)butanedioate;2,3-bis(sulfanyl)butanedioic acid;2,3-disulfidobutanedioate (PubChem CID 101332025) has the molecular formula C12H12O12S6Sb2 and a molecular weight of 784.14 g/mol. Its IUPAC name is bis(antimony(3+));2,3-bis(sulfanyl)butanedioate;2,3-bis(sulfanyl)butanedioic acid;2,3-disulfidobutanedioate.

Molecular Properties

• Compound Name: bis(antimony(3+));2,3-bis(sulfanyl)butanedioate;2,3-bis(sulfanyl)butanedioic acid;2,3-disulfidobutanedioate
• PubChem CID: 101332025
• Molecular Formula: C12H12O12S6Sb2
• Molecular Weight: 784.14 g/mol
• Exact Mass: 781.67
• IUPAC Name: bis(antimony(3+));2,3-bis(sulfanyl)butanedioate;2,3-bis(sulfanyl)butanedioic acid;2,3-disulfidobutanedioate
• SMILES: O=C(O)C(S)C(S)C(=O)O.O=C([O-])C(S)C(S)C(=O)[O-].O=C([O-])C([S-])C([S-])C(=O)[O-].[Sb+3].[Sb+3]
• InChI: InChI=1S/3C4H6O4S2.2Sb/c3*5-3(6)1(9)2(10)4(7)8;;/h3*1-2,9-10H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6
• InChIKey: WRIDGMJGKDWAJY-UHFFFAOYSA-H
• XLogP: -7.61
• TPSA: 235.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	784.14
LogP ≤ 5	-7.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(antimony(3+));2,3-bis(sulfanyl)butanedioate;2,3-bis(sulfanyl)butanedioic acid;2,3-disulfidobutanedioate?

The IUPAC name of bis(antimony(3+));2,3-bis(sulfanyl)butanedioate;2,3-bis(sulfanyl)butanedioic acid;2,3-disulfidobutanedioate (CID 101332025) is bis(antimony(3+));2,3-bis(sulfanyl)butanedioate;2,3-bis(sulfanyl)butanedioic acid;2,3-disulfidobutanedioate.

What is the SMILES notation for bis(antimony(3+));2,3-bis(sulfanyl)butanedioate;2,3-bis(sulfanyl)butanedioic acid;2,3-disulfidobutanedioate?

The canonical SMILES for bis(antimony(3+));2,3-bis(sulfanyl)butanedioate;2,3-bis(sulfanyl)butanedioic acid;2,3-disulfidobutanedioate is O=C(O)C(S)C(S)C(=O)O.O=C([O-])C(S)C(S)C(=O)[O-].O=C([O-])C([S-])C([S-])C(=O)[O-].[Sb+3].[Sb+3].

What is the InChIKey of bis(antimony(3+));2,3-bis(sulfanyl)butanedioate;2,3-bis(sulfanyl)butanedioic acid;2,3-disulfidobutanedioate?

The InChIKey is WRIDGMJGKDWAJY-UHFFFAOYSA-H. The full InChI is InChI=1S/3C4H6O4S2.2Sb/c3*5-3(6)1(9)2(10)4(7)8;;/h3*1-2,9-10H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6.

What are the key properties of bis(antimony(3+));2,3-bis(sulfanyl)butanedioate;2,3-bis(sulfanyl)butanedioic acid;2,3-disulfidobutanedioate?

bis(antimony(3+));2,3-bis(sulfanyl)butanedioate;2,3-bis(sulfanyl)butanedioic acid;2,3-disulfidobutanedioate has a molecular weight of 784.14 g/mol, XLogP of -7.61, 9 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(antimony(3+));2,3-bis(sulfanyl)butanedioate;2,3-bis(sulfanyl)butanedioic acid;2,3-disulfidobutanedioate is sourced from PubChem (CID 101332025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).