actinium;4-azanidylbenzenesulfinate

C6H5AcNO2S-2 — CID 59104567

IUPACactinium;4-azanidylbenzenesulfinate
SMILES[Ac].[NH-]c1ccc(S(=O)[O-])cc1
InChIInChI=1S/C6H6NO2S.Ac/c7-5-1-3-6(4-2-5)10(8)9;/h1-4,7H,(H,8,9);/q-1;/p-1
InChIKeyXSWXHJIJDNYHFQ-UHFFFAOYSA-M
MW382.18 g/mol
LogP1.61
Rot. Bonds1

About actinium;4-azanidylbenzenesulfinate

actinium;4-azanidylbenzenesulfinate (PubChem CID 59104567) has the molecular formula C6H5AcNO2S-2 and a molecular weight of 382.18 g/mol. Its IUPAC name is actinium;4-azanidylbenzenesulfinate.

Molecular Properties

Compound Nameactinium;4-azanidylbenzenesulfinate
PubChem CID59104567
Molecular FormulaC6H5AcNO2S-2
Molecular Weight382.18 g/mol
Exact Mass382.03
IUPAC Nameactinium;4-azanidylbenzenesulfinate
SMILES[Ac].[NH-]c1ccc(S(=O)[O-])cc1
InChIInChI=1S/C6H6NO2S.Ac/c7-5-1-3-6(4-2-5)10(8)9;/h1-4,7H,(H,8,9);/q-1;/p-1
InChIKeyXSWXHJIJDNYHFQ-UHFFFAOYSA-M
XLogP1.61
TPSA63.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.18
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of actinium;4-azanidylbenzenesulfinate?
The IUPAC name of actinium;4-azanidylbenzenesulfinate (CID 59104567) is actinium;4-azanidylbenzenesulfinate.
What is the SMILES notation for actinium;4-azanidylbenzenesulfinate?
The canonical SMILES for actinium;4-azanidylbenzenesulfinate is [Ac].[NH-]c1ccc(S(=O)[O-])cc1.
What is the InChIKey of actinium;4-azanidylbenzenesulfinate?
The InChIKey is XSWXHJIJDNYHFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6NO2S.Ac/c7-5-1-3-6(4-2-5)10(8)9;/h1-4,7H,(H,8,9);/q-1;/p-1.
What are the key properties of actinium;4-azanidylbenzenesulfinate?
actinium;4-azanidylbenzenesulfinate has a molecular weight of 382.18 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;4-azanidylbenzenesulfinate is sourced from PubChem (CID 59104567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).