CID 175865687

H3InO3SZn — CID 175865687

IUPAC—
SMILESO=[S-](=O)O.[InH2+].[Zn]
InChIInChI=1S/In.HO3S.Zn.2H/c;1-4(2)3;;;/h;(H,1,2,3);;;/q+1;-1;;;
InChIKeyRNMZMCVZIKOZCE-UHFFFAOYSA-N
MW263.30 g/mol
LogP-1.15
Rot. Bonds

About CID 175865687

CID 175865687 (PubChem CID 175865687) has the molecular formula H3InO3SZn and a molecular weight of 263.30 g/mol.

Molecular Properties

Compound NameCID 175865687
PubChem CID175865687
Molecular FormulaH3InO3SZn
Molecular Weight263.30 g/mol
Exact Mass261.81
IUPAC Name—
SMILESO=[S-](=O)O.[InH2+].[Zn]
InChIInChI=1S/In.HO3S.Zn.2H/c;1-4(2)3;;;/h;(H,1,2,3);;;/q+1;-1;;;
InChIKeyRNMZMCVZIKOZCE-UHFFFAOYSA-N
XLogP-1.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175865687?
The IUPAC name of CID 175865687 (CID 175865687) is not available.
What is the SMILES notation for CID 175865687?
The canonical SMILES for CID 175865687 is O=[S-](=O)O.[InH2+].[Zn].
What is the InChIKey of CID 175865687?
The InChIKey is RNMZMCVZIKOZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/In.HO3S.Zn.2H/c;1-4(2)3;;;/h;(H,1,2,3);;;/q+1;-1;;;.
What are the key properties of CID 175865687?
CID 175865687 has a molecular weight of 263.30 g/mol, XLogP of -1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175865687 is sourced from PubChem (CID 175865687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).