CID 175476137

C5H6N2O2SSi — CID 175476137

IUPAC
SMILESNS(=O)(=O)c1ccccn1.[Si]
InChIInChI=1S/C5H6N2O2S.Si/c6-10(8,9)5-3-1-2-4-7-5;/h1-4H,(H2,6,8,9);
InChIKeyWHWSOXSVJLKEKQ-UHFFFAOYSA-N
MW186.27 g/mol
LogP-0.65
Rot. Bonds1

About CID 175476137

CID 175476137 (PubChem CID 175476137) has the molecular formula C5H6N2O2SSi and a molecular weight of 186.27 g/mol.

Molecular Properties

Compound NameCID 175476137
PubChem CID175476137
Molecular FormulaC5H6N2O2SSi
Molecular Weight186.27 g/mol
Exact Mass185.99
IUPAC Name
SMILESNS(=O)(=O)c1ccccn1.[Si]
InChIInChI=1S/C5H6N2O2S.Si/c6-10(8,9)5-3-1-2-4-7-5;/h1-4H,(H2,6,8,9);
InChIKeyWHWSOXSVJLKEKQ-UHFFFAOYSA-N
XLogP-0.65
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175476137?
The IUPAC name of CID 175476137 (CID 175476137) is not available.
What is the SMILES notation for CID 175476137?
The canonical SMILES for CID 175476137 is NS(=O)(=O)c1ccccn1.[Si].
What is the InChIKey of CID 175476137?
The InChIKey is WHWSOXSVJLKEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S.Si/c6-10(8,9)5-3-1-2-4-7-5;/h1-4H,(H2,6,8,9);.
What are the key properties of CID 175476137?
CID 175476137 has a molecular weight of 186.27 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175476137 is sourced from PubChem (CID 175476137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).