1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt

C7H5NNa2O3S — CID 69118459

IUPAC—
SMILESO=C1NS(=O)(=O)c2ccccc21.[Na].[Na]
InChIInChI=1S/C7H5NO3S.2Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h1-4H,(H,8,9);;
InChIKeyRKEGJXGEFHWFRZ-UHFFFAOYSA-N
MW229.17 g/mol
LogP-0.64
Rot. Bonds

About 1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt

1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt (PubChem CID 69118459) has the molecular formula C7H5NNa2O3S and a molecular weight of 229.17 g/mol.

Molecular Properties

Compound Name1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt
PubChem CID69118459
Molecular FormulaC7H5NNa2O3S
Molecular Weight229.17 g/mol
Exact Mass228.98
IUPAC Name—
SMILESO=C1NS(=O)(=O)c2ccccc21.[Na].[Na]
InChIInChI=1S/C7H5NO3S.2Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h1-4H,(H,8,9);;
InChIKeyRKEGJXGEFHWFRZ-UHFFFAOYSA-N
XLogP-0.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dioxo-1,2-benzothiazol-3-one;hydron
CID 135264124
1,1-dioxo-1,2-benzothiazol-3-one;iron
CID 175330188
1,1-dioxo-1,2-benzothiazol-3-one;hydrate
CID 66978509
copper(1+);1,1-dioxo-1,2-benzothiazol-3-one
CID 23615957
CID 67677158
CID 67677158
sodium;1,1-dioxo-1,2-benzothiazol-3-one;hydrate
CID 18324648
tris(1,1-dioxo-1,2-benzothiazol-3-one);iron;hydrate
CID 66878202
1,1-dioxo-1,2-benzothiazol-3-one;iron;zinc
CID 175249806
pentacosasodium;1,1-dioxo-1,2-benzothiazol-3-one;hydride
CID 173439945
CID 174881995
CID 174881995
disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride
CID 174471763
acetic acid;bis(1,1-dioxo-1,2-benzothiazol-3-one)
CID 172774685

Frequently Asked Questions

What is the IUPAC name of 1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt?
The IUPAC name of 1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt (CID 69118459) is not available.
What is the SMILES notation for 1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt?
The canonical SMILES for 1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt is O=C1NS(=O)(=O)c2ccccc21.[Na].[Na].
What is the InChIKey of 1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt?
The InChIKey is RKEGJXGEFHWFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3S.2Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h1-4H,(H,8,9);;.
What are the key properties of 1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt?
1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt has a molecular weight of 229.17 g/mol, XLogP of -0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt is sourced from PubChem (CID 69118459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).