formaldehyde;rhenium;thiocyanate

C6H10NO5ReS- — CID 119097765

IUPACformaldehyde;rhenium;thiocyanate
SMILESC=O.C=O.C=O.C=O.C=O.N#C[S-].[Re]
InChIInChI=1S/CHNS.5CH2O.Re/c2-1-3;5*1-2;/h3H;5*1H2;/p-1
InChIKeyGHYKPZIULGNVQG-UHFFFAOYSA-M
MW394.42 g/mol
LogP-0.91
Rot. Bonds

About formaldehyde;rhenium;thiocyanate

formaldehyde;rhenium;thiocyanate (PubChem CID 119097765) has the molecular formula C6H10NO5ReS- and a molecular weight of 394.42 g/mol. Its IUPAC name is formaldehyde;rhenium;thiocyanate.

Molecular Properties

Compound Nameformaldehyde;rhenium;thiocyanate
PubChem CID119097765
Molecular FormulaC6H10NO5ReS-
Molecular Weight394.42 g/mol
Exact Mass394.98
IUPAC Nameformaldehyde;rhenium;thiocyanate
SMILESC=O.C=O.C=O.C=O.C=O.N#C[S-].[Re]
InChIInChI=1S/CHNS.5CH2O.Re/c2-1-3;5*1-2;/h3H;5*1H2;/p-1
InChIKeyGHYKPZIULGNVQG-UHFFFAOYSA-M
XLogP-0.91
TPSA109.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;rhenium;thiocyanate?
The IUPAC name of formaldehyde;rhenium;thiocyanate (CID 119097765) is formaldehyde;rhenium;thiocyanate.
What is the SMILES notation for formaldehyde;rhenium;thiocyanate?
The canonical SMILES for formaldehyde;rhenium;thiocyanate is C=O.C=O.C=O.C=O.C=O.N#C[S-].[Re].
What is the InChIKey of formaldehyde;rhenium;thiocyanate?
The InChIKey is GHYKPZIULGNVQG-UHFFFAOYSA-M. The full InChI is InChI=1S/CHNS.5CH2O.Re/c2-1-3;5*1-2;/h3H;5*1H2;/p-1.
What are the key properties of formaldehyde;rhenium;thiocyanate?
formaldehyde;rhenium;thiocyanate has a molecular weight of 394.42 g/mol, XLogP of -0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;rhenium;thiocyanate is sourced from PubChem (CID 119097765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).