CID 21241985

N6O2SSi — CID 21241985

IUPAC—
SMILES[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].[Si]
InChIInChI=1S/N6O2S.Si/c1-3-5-9(7,8)6-4-2;
InChIKeyMYILRVZSFYLAJL-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.47
Rot. Bonds2

About CID 21241985

CID 21241985 (PubChem CID 21241985) has the molecular formula N6O2SSi and a molecular weight of 176.19 g/mol.

Molecular Properties

Compound NameCID 21241985
PubChem CID21241985
Molecular FormulaN6O2SSi
Molecular Weight176.19 g/mol
Exact Mass175.96
IUPAC Name—
SMILES[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].[Si]
InChIInChI=1S/N6O2S.Si/c1-3-5-9(7,8)6-4-2;
InChIKeyMYILRVZSFYLAJL-UHFFFAOYSA-N
XLogP0.47
TPSA131.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 21241985?
The IUPAC name of CID 21241985 (CID 21241985) is not available.
What is the SMILES notation for CID 21241985?
The canonical SMILES for CID 21241985 is [N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].[Si].
What is the InChIKey of CID 21241985?
The InChIKey is MYILRVZSFYLAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/N6O2S.Si/c1-3-5-9(7,8)6-4-2;.
What are the key properties of CID 21241985?
CID 21241985 has a molecular weight of 176.19 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21241985 is sourced from PubChem (CID 21241985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).