CID 173455129

H2ReS4 — CID 173455129

IUPAC—
SMILESSSSS.[Re]
InChIInChI=1S/Re.H2S4/c;1-3-4-2/h;1-2H
InChIKeyMDQPPCPACGLOEH-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.05
Rot. Bonds1

About CID 173455129

CID 173455129 (PubChem CID 173455129) has the molecular formula H2ReS4 and a molecular weight of 316.49 g/mol.

Molecular Properties

Compound NameCID 173455129
PubChem CID173455129
Molecular FormulaH2ReS4
Molecular Weight316.49 g/mol
Exact Mass316.86
IUPAC Name—
SMILESSSSS.[Re]
InChIInChI=1S/Re.H2S4/c;1-3-4-2/h;1-2H
InChIKeyMDQPPCPACGLOEH-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173455129?
The IUPAC name of CID 173455129 (CID 173455129) is not available.
What is the SMILES notation for CID 173455129?
The canonical SMILES for CID 173455129 is SSSS.[Re].
What is the InChIKey of CID 173455129?
The InChIKey is MDQPPCPACGLOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/Re.H2S4/c;1-3-4-2/h;1-2H.
What are the key properties of CID 173455129?
CID 173455129 has a molecular weight of 316.49 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173455129 is sourced from PubChem (CID 173455129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).