2,8-DIBENZOFURANDISULFINIC ACID, DISODIUM SALT

C12H8Na2O5S2 — CID 126960493

IUPAC—
SMILESO=S(O)c1ccc2oc3ccc(S(=O)O)cc3c2c1.[Na].[Na]
InChIInChI=1S/C12H8O5S2.2Na/c13-18(14)7-1-3-11-9(5-7)10-6-8(19(15)16)2-4-12(10)17-11;;/h1-6H,(H,13,14)(H,15,16);;
InChIKeySFAHQDWBMXOMJR-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.99
Rot. Bonds2

About 2,8-DIBENZOFURANDISULFINIC ACID, DISODIUM SALT

2,8-DIBENZOFURANDISULFINIC ACID, DISODIUM SALT (PubChem CID 126960493) has the molecular formula C12H8Na2O5S2 and a molecular weight of 342.31 g/mol.

Molecular Properties

Compound Name2,8-DIBENZOFURANDISULFINIC ACID, DISODIUM SALT
PubChem CID126960493
Molecular FormulaC12H8Na2O5S2
Molecular Weight342.31 g/mol
Exact Mass341.96
IUPAC Name—
SMILESO=S(O)c1ccc2oc3ccc(S(=O)O)cc3c2c1.[Na].[Na]
InChIInChI=1S/C12H8O5S2.2Na/c13-18(14)7-1-3-11-9(5-7)10-6-8(19(15)16)2-4-12(10)17-11;;/h1-6H,(H,13,14)(H,15,16);;
InChIKeySFAHQDWBMXOMJR-UHFFFAOYSA-N
XLogP1.99
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid
CID 163913635
dibenzofuran-2-yl hydrogen sulfite
CID 174423504
7-[(S)-methylsulfinyl]-9-oxoxanthene-2-carboxylic acid
CID 76956149
1,4-dichloroisoquinoline-7-sulfinic acid
CID 54429071
4-aminobenzene-1,3-disulfinic acid
CID 175010618
4-chloro-3-fluorobenzenesulfinic acid
CID 67275217
2-(N-sulfinoanilino)dibenzofuran
CID 57088845
furo[3,2-e][1]benzofuran-2,7-diol
CID 69037030
phthalazine-6-sulfinic acid
CID 67247671
2-dibenzofuran-2-ylsulfinyl-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 11559271
CID 66692277
CID 66692277
sodium 4-iodobenzenesulfinic acid
CID 22678005

Frequently Asked Questions

What is the IUPAC name of 2,8-DIBENZOFURANDISULFINIC ACID, DISODIUM SALT?
The IUPAC name of 2,8-DIBENZOFURANDISULFINIC ACID, DISODIUM SALT (CID 126960493) is not available.
What is the SMILES notation for 2,8-DIBENZOFURANDISULFINIC ACID, DISODIUM SALT?
The canonical SMILES for 2,8-DIBENZOFURANDISULFINIC ACID, DISODIUM SALT is O=S(O)c1ccc2oc3ccc(S(=O)O)cc3c2c1.[Na].[Na].
What is the InChIKey of 2,8-DIBENZOFURANDISULFINIC ACID, DISODIUM SALT?
The InChIKey is SFAHQDWBMXOMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O5S2.2Na/c13-18(14)7-1-3-11-9(5-7)10-6-8(19(15)16)2-4-12(10)17-11;;/h1-6H,(H,13,14)(H,15,16);;.
What are the key properties of 2,8-DIBENZOFURANDISULFINIC ACID, DISODIUM SALT?
2,8-DIBENZOFURANDISULFINIC ACID, DISODIUM SALT has a molecular weight of 342.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-DIBENZOFURANDISULFINIC ACID, DISODIUM SALT is sourced from PubChem (CID 126960493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).