CID 174881995

C7H5CuNO3SSe — CID 174881995

IUPAC—
SMILESO=C1NS(=O)(=O)c2ccccc21.[Cu].[Se]
InChIInChI=1S/C7H5NO3S.Cu.Se/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h1-4H,(H,8,9);;
InChIKeyGMGJHTQFMQAPGI-UHFFFAOYSA-N
MW325.69 g/mol
LogP-0.26
Rot. Bonds

About CID 174881995

CID 174881995 (PubChem CID 174881995) has the molecular formula C7H5CuNO3SSe and a molecular weight of 325.69 g/mol.

Molecular Properties

Compound NameCID 174881995
PubChem CID174881995
Molecular FormulaC7H5CuNO3SSe
Molecular Weight325.69 g/mol
Exact Mass325.85
IUPAC Name—
SMILESO=C1NS(=O)(=O)c2ccccc21.[Cu].[Se]
InChIInChI=1S/C7H5NO3S.Cu.Se/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h1-4H,(H,8,9);;
InChIKeyGMGJHTQFMQAPGI-UHFFFAOYSA-N
XLogP-0.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.69
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1,1-dioxo-1,2-benzothiazol-3-one;iron
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1,1-dioxo-1,2-benzothiazol-3-one;hydrate
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copper(1+);1,1-dioxo-1,2-benzothiazol-3-one
CID 23615957
1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt
CID 69118459
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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
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 CID 174881995?
The IUPAC name of CID 174881995 (CID 174881995) is not available.
What is the SMILES notation for CID 174881995?
The canonical SMILES for CID 174881995 is O=C1NS(=O)(=O)c2ccccc21.[Cu].[Se].
What is the InChIKey of CID 174881995?
The InChIKey is GMGJHTQFMQAPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3S.Cu.Se/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 CID 174881995?
CID 174881995 has a molecular weight of 325.69 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174881995 is sourced from PubChem (CID 174881995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).