Succimer

C₄H₆O₄S₂ — CID 2724354

About Succimer

Succimer (PubChem CID 2724354) has the molecular formula C₄H₆O₄S₂ and a molecular weight of 182.22 g/mol. Its IUPAC name is (2S,3R)-2,3-bis(sulfanyl)butanedioic acid.

Molecular Properties

• Compound Name: Succimer
• PubChem CID: 2724354
• Molecular Formula: C₄H₆O₄S₂
• Molecular Weight: 182.22 g/mol
• Exact Mass: 181.97
• IUPAC Name: (2S,3R)-2,3-bis(sulfanyl)butanedioic acid
• SMILES: O=C(O)[C@@H](S)[C@@H](S)C(=O)O
• InChI: InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)/t1-,2+
• InChIKey: ACTRVOBWPAIOHC-XIXRPRMCSA-N
• XLogP: -0.25
• TPSA: 74.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	182.22
LogP ≤ 5	-0.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Succimer?

The IUPAC name of Succimer (CID 2724354) is (2S,3R)-2,3-bis(sulfanyl)butanedioic acid.

What is the SMILES notation for Succimer?

The canonical SMILES for Succimer is O=C(O)[C@@H](S)[C@@H](S)C(=O)O.

What is the InChIKey of Succimer?

The InChIKey is ACTRVOBWPAIOHC-XIXRPRMCSA-N. The full InChI is InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)/t1-,2+.

What are the key properties of Succimer?

Succimer has a molecular weight of 182.22 g/mol, XLogP of -0.25, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Succimer is sourced from PubChem (CID 2724354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2724354 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2486 — approved-drug record (CC BY-SA 4.0)

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