CID 163533915

C7H6ClN2SSi — CID 163533915

IUPAC—
SMILES[Si]C(=S)NCc1ccc(Cl)nc1
InChIInChI=1S/C7H6ClN2SSi/c8-6-2-1-5(3-9-6)4-10-7(11)12/h1-3H,4H2,(H,10,11)
InChIKeyXMSZRGWRUUBKQC-UHFFFAOYSA-N
MW213.75 g/mol
LogP1.28
Rot. Bonds2

About CID 163533915

CID 163533915 (PubChem CID 163533915) has the molecular formula C7H6ClN2SSi and a molecular weight of 213.75 g/mol.

Molecular Properties

Compound NameCID 163533915
PubChem CID163533915
Molecular FormulaC7H6ClN2SSi
Molecular Weight213.75 g/mol
Exact Mass212.97
IUPAC Name—
SMILES[Si]C(=S)NCc1ccc(Cl)nc1
InChIInChI=1S/C7H6ClN2SSi/c8-6-2-1-5(3-9-6)4-10-7(11)12/h1-3H,4H2,(H,10,11)
InChIKeyXMSZRGWRUUBKQC-UHFFFAOYSA-N
XLogP1.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 163533915?
The IUPAC name of CID 163533915 (CID 163533915) is not available.
What is the SMILES notation for CID 163533915?
The canonical SMILES for CID 163533915 is [Si]C(=S)NCc1ccc(Cl)nc1.
What is the InChIKey of CID 163533915?
The InChIKey is XMSZRGWRUUBKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN2SSi/c8-6-2-1-5(3-9-6)4-10-7(11)12/h1-3H,4H2,(H,10,11).
What are the key properties of CID 163533915?
CID 163533915 has a molecular weight of 213.75 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163533915 is sourced from PubChem (CID 163533915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).