CID 15984391

C8H9AuSSe+ — CID 15984391

IUPAC—
SMILESCSc1ccc(C[Se])cc1.[Au+]
InChIInChI=1S/C8H9SSe.Au/c1-9-8-4-2-7(6-10)3-5-8;/h2-5H,6H2,1H3;/q;+1
InChIKeyUHEFIDZNONESQF-UHFFFAOYSA-N
MW413.15 g/mol
LogP2.07
Rot. Bonds2

About CID 15984391

CID 15984391 (PubChem CID 15984391) has the molecular formula C8H9AuSSe+ and a molecular weight of 413.15 g/mol.

Molecular Properties

Compound NameCID 15984391
PubChem CID15984391
Molecular FormulaC8H9AuSSe+
Molecular Weight413.15 g/mol
Exact Mass413.93
IUPAC Name—
SMILESCSc1ccc(C[Se])cc1.[Au+]
InChIInChI=1S/C8H9SSe.Au/c1-9-8-4-2-7(6-10)3-5-8;/h2-5H,6H2,1H3;/q;+1
InChIKeyUHEFIDZNONESQF-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.15
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 15984391 with MolForge

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

Launch Full Analysis

Related Compounds

1-ethyl-4-methylsulfanylbenzene
CID 142218139
1-(bromomethyl)-4-methylsulfanylbenzene
CID 11367930
(4-methylsulfanylphenyl)methanethiol
CID 14625012
1-ethyl-4-methylsulfanylbenzene;methanamine
CID 168997767
1-benzyl-4-methylsulfanylbenzene
CID 23524923
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
1-(isoselenocyanatomethyl)-4-methylsulfanylbenzene
CID 91620462
1-methylsulfanyl-4-prop-2-enylbenzene
CID 2760094
1-(3-bromopropyl)-4-methylsulfanylbenzene
CID 53433990
1-benzyl-4-methylsulfanylbenzene;ethene
CID 144850649
4-(4-methylsulfanylphenyl)butan-1-amine
CID 10559771
2-[4-(4-methylsulfanylphenyl)phenyl]ethanol
CID 2760093

Frequently Asked Questions

What is the IUPAC name of CID 15984391?
The IUPAC name of CID 15984391 (CID 15984391) is not available.
What is the SMILES notation for CID 15984391?
The canonical SMILES for CID 15984391 is CSc1ccc(C[Se])cc1.[Au+].
What is the InChIKey of CID 15984391?
The InChIKey is UHEFIDZNONESQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9SSe.Au/c1-9-8-4-2-7(6-10)3-5-8;/h2-5H,6H2,1H3;/q;+1.
What are the key properties of CID 15984391?
CID 15984391 has a molecular weight of 413.15 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15984391 is sourced from PubChem (CID 15984391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).