methylsulfanylmethanone;rhenium

C2H3OReS- — CID 89353209

IUPACmethylsulfanylmethanone;rhenium
SMILESCS[C-]=O.[Re]
InChIInChI=1S/C2H3OS.Re/c1-4-2-3;/h1H3;/q-1;
InChIKeyHWKANZHFIAPPSW-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.41
Rot. Bonds1

About methylsulfanylmethanone;rhenium

methylsulfanylmethanone;rhenium (PubChem CID 89353209) has the molecular formula C2H3OReS- and a molecular weight of 261.32 g/mol. Its IUPAC name is methylsulfanylmethanone;rhenium.

Molecular Properties

Compound Namemethylsulfanylmethanone;rhenium
PubChem CID89353209
Molecular FormulaC2H3OReS-
Molecular Weight261.32 g/mol
Exact Mass261.95
IUPAC Namemethylsulfanylmethanone;rhenium
SMILESCS[C-]=O.[Re]
InChIInChI=1S/C2H3OS.Re/c1-4-2-3;/h1H3;/q-1;
InChIKeyHWKANZHFIAPPSW-UHFFFAOYSA-N
XLogP0.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethanone;rhenium?
The IUPAC name of methylsulfanylmethanone;rhenium (CID 89353209) is methylsulfanylmethanone;rhenium.
What is the SMILES notation for methylsulfanylmethanone;rhenium?
The canonical SMILES for methylsulfanylmethanone;rhenium is CS[C-]=O.[Re].
What is the InChIKey of methylsulfanylmethanone;rhenium?
The InChIKey is HWKANZHFIAPPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3OS.Re/c1-4-2-3;/h1H3;/q-1;.
What are the key properties of methylsulfanylmethanone;rhenium?
methylsulfanylmethanone;rhenium has a molecular weight of 261.32 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethanone;rhenium is sourced from PubChem (CID 89353209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).