CID 102272547

C21H21GeNSSe — CID 102272547

IUPAC—
SMILESCN(C)C(=S)[Se].c1ccc([Ge](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15Ge.C3H6NSSe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(2)3(5)6/h1-15H;1-2H3
InChIKeyUQGAPGLYJPXSBG-UHFFFAOYSA-N
MW471.04 g/mol
LogP2.20
Rot. Bonds3

About CID 102272547

CID 102272547 (PubChem CID 102272547) has the molecular formula C21H21GeNSSe and a molecular weight of 471.04 g/mol.

Molecular Properties

Compound NameCID 102272547
PubChem CID102272547
Molecular FormulaC21H21GeNSSe
Molecular Weight471.04 g/mol
Exact Mass472.98
IUPAC Name—
SMILESCN(C)C(=S)[Se].c1ccc([Ge](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15Ge.C3H6NSSe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(2)3(5)6/h1-15H;1-2H3
InChIKeyUQGAPGLYJPXSBG-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.04
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 102272547?
The IUPAC name of CID 102272547 (CID 102272547) is not available.
What is the SMILES notation for CID 102272547?
The canonical SMILES for CID 102272547 is CN(C)C(=S)[Se].c1ccc([Ge](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 102272547?
The InChIKey is UQGAPGLYJPXSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Ge.C3H6NSSe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(2)3(5)6/h1-15H;1-2H3.
What are the key properties of CID 102272547?
CID 102272547 has a molecular weight of 471.04 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102272547 is sourced from PubChem (CID 102272547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).