1-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone

C7H12O2S — CID 162412430

IUPAC1-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone
SMILESCS(C)(=O)=CC(=O)C1CC1
InChIInChI=1S/C7H12O2S/c1-10(2,9)5-7(8)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyHSXDKZUAXCBCCB-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.31
Rot. Bonds2

About 1-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone

1-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone (PubChem CID 162412430) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone
PubChem CID162412430
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name1-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone
SMILESCS(C)(=O)=CC(=O)C1CC1
InChIInChI=1S/C7H12O2S/c1-10(2,9)5-7(8)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyHSXDKZUAXCBCCB-UHFFFAOYSA-N
XLogP0.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.31
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-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone?
The IUPAC name of 1-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone (CID 162412430) is 1-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone is CS(C)(=O)=CC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone?
The InChIKey is HSXDKZUAXCBCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-10(2,9)5-7(8)6-3-4-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone?
1-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone has a molecular weight of 160.24 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[dimethyl(oxo)-λ6-sulfanylidene]ethanone is sourced from PubChem (CID 162412430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).