CID 172687824

CH6AsAuS — CID 172687824

IUPAC—
SMILESC.S.[As].[Au]
InChIInChI=1S/CH4.As.Au.H2S/h1H4;;;1H2
InChIKeyGNTJSUQSMVXAIS-UHFFFAOYSA-N
MW322.02 g/mol
LogP0.37
Rot. Bonds

About CID 172687824

CID 172687824 (PubChem CID 172687824) has the molecular formula CH6AsAuS and a molecular weight of 322.02 g/mol.

Molecular Properties

Compound NameCID 172687824
PubChem CID172687824
Molecular FormulaCH6AsAuS
Molecular Weight322.02 g/mol
Exact Mass321.91
IUPAC Name—
SMILESC.S.[As].[Au]
InChIInChI=1S/CH4.As.Au.H2S/h1H4;;;1H2
InChIKeyGNTJSUQSMVXAIS-UHFFFAOYSA-N
XLogP0.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.02
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 172687824?
The IUPAC name of CID 172687824 (CID 172687824) is not available.
What is the SMILES notation for CID 172687824?
The canonical SMILES for CID 172687824 is C.S.[As].[Au].
What is the InChIKey of CID 172687824?
The InChIKey is GNTJSUQSMVXAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4.As.Au.H2S/h1H4;;;1H2.
What are the key properties of CID 172687824?
CID 172687824 has a molecular weight of 322.02 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172687824 is sourced from PubChem (CID 172687824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).