copper(1+);1,1-dioxo-1,2-benzothiazol-3-one

C7H5CuNO3S+ — CID 23615957

IUPACcopper(1+);1,1-dioxo-1,2-benzothiazol-3-one
SMILESO=C1NS(=O)(=O)c2ccccc21.[Cu+]
InChIInChI=1S/C7H5NO3S.Cu/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1
InChIKeyBDBCKDKYFVLLGJ-UHFFFAOYSA-N
MW246.73 g/mol
LogP0.12
Rot. Bonds

About copper(1+);1,1-dioxo-1,2-benzothiazol-3-one

copper(1+);1,1-dioxo-1,2-benzothiazol-3-one (PubChem CID 23615957) has the molecular formula C7H5CuNO3S+ and a molecular weight of 246.73 g/mol. Its IUPAC name is copper(1+);1,1-dioxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound Namecopper(1+);1,1-dioxo-1,2-benzothiazol-3-one
PubChem CID23615957
Molecular FormulaC7H5CuNO3S+
Molecular Weight246.73 g/mol
Exact Mass245.93
IUPAC Namecopper(1+);1,1-dioxo-1,2-benzothiazol-3-one
SMILESO=C1NS(=O)(=O)c2ccccc21.[Cu+]
InChIInChI=1S/C7H5NO3S.Cu/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1
InChIKeyBDBCKDKYFVLLGJ-UHFFFAOYSA-N
XLogP0.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.73
LogP ≤ 50.12
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
1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt
CID 69118459
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
pentacosasodium;1,1-dioxo-1,2-benzothiazol-3-one;hydride
CID 173439945
1,1-dioxo-1,2-benzothiazol-3-one;iron;zinc
CID 175249806
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 copper(1+);1,1-dioxo-1,2-benzothiazol-3-one?
The IUPAC name of copper(1+);1,1-dioxo-1,2-benzothiazol-3-one (CID 23615957) is copper(1+);1,1-dioxo-1,2-benzothiazol-3-one.
What is the SMILES notation for copper(1+);1,1-dioxo-1,2-benzothiazol-3-one?
The canonical SMILES for copper(1+);1,1-dioxo-1,2-benzothiazol-3-one is O=C1NS(=O)(=O)c2ccccc21.[Cu+].
What is the InChIKey of copper(1+);1,1-dioxo-1,2-benzothiazol-3-one?
The InChIKey is BDBCKDKYFVLLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3S.Cu/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1.
What are the key properties of copper(1+);1,1-dioxo-1,2-benzothiazol-3-one?
copper(1+);1,1-dioxo-1,2-benzothiazol-3-one has a molecular weight of 246.73 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);1,1-dioxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 23615957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).