CID 89189737

C6H6NSSi — CID 89189737

IUPAC—
SMILESNc1cc([Si])ccc1S
InChIInChI=1S/C6H6NSSi/c7-5-3-4(9)1-2-6(5)8/h1-3,8H,7H2
InChIKeyHNOVSBQLFPNCHO-UHFFFAOYSA-N
MW152.27 g/mol
LogP0.35
Rot. Bonds

About CID 89189737

CID 89189737 (PubChem CID 89189737) has the molecular formula C6H6NSSi and a molecular weight of 152.27 g/mol.

Molecular Properties

Compound NameCID 89189737
PubChem CID89189737
Molecular FormulaC6H6NSSi
Molecular Weight152.27 g/mol
Exact Mass152.00
IUPAC Name—
SMILESNc1cc([Si])ccc1S
InChIInChI=1S/C6H6NSSi/c7-5-3-4(9)1-2-6(5)8/h1-3,8H,7H2
InChIKeyHNOVSBQLFPNCHO-UHFFFAOYSA-N
XLogP0.35
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze CID 89189737 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 89189737?
The IUPAC name of CID 89189737 (CID 89189737) is not available.
What is the SMILES notation for CID 89189737?
The canonical SMILES for CID 89189737 is Nc1cc([Si])ccc1S.
What is the InChIKey of CID 89189737?
The InChIKey is HNOVSBQLFPNCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NSSi/c7-5-3-4(9)1-2-6(5)8/h1-3,8H,7H2.
What are the key properties of CID 89189737?
CID 89189737 has a molecular weight of 152.27 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89189737 is sourced from PubChem (CID 89189737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).