1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one

C5H10O2S — CID 58557871

IUPAC1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one
SMILESCC(=O)C=S(C)(C)=O
InChIInChI=1S/C5H10O2S/c1-5(6)4-8(2,3)7/h4H,1-3H3
InChIKeyNSYRVBICEJVJFR-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.08
Rot. Bonds1

About 1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one

1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one (PubChem CID 58557871) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one.

Molecular Properties

Compound Name1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one
PubChem CID58557871
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one
SMILESCC(=O)C=S(C)(C)=O
InChIInChI=1S/C5H10O2S/c1-5(6)4-8(2,3)7/h4H,1-3H3
InChIKeyNSYRVBICEJVJFR-UHFFFAOYSA-N
XLogP-0.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one?
The IUPAC name of 1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one (CID 58557871) is 1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one.
What is the SMILES notation for 1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one?
The canonical SMILES for 1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one is CC(=O)C=S(C)(C)=O.
What is the InChIKey of 1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one?
The InChIKey is NSYRVBICEJVJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-5(6)4-8(2,3)7/h4H,1-3H3.
What are the key properties of 1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one?
1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one has a molecular weight of 134.20 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl(oxo)-λ6-sulfanylidene]propan-2-one is sourced from PubChem (CID 58557871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).