1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one

C5H10OS — CID 20671976

IUPAC1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one
SMILESC=S(C)CC(C)=O
InChIInChI=1S/C5H10OS/c1-5(6)4-7(2)3/h2,4H2,1,3H3
InChIKeyCWZZFQISADAAHI-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.91
Rot. Bonds2

About 1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one

1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one (PubChem CID 20671976) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one.

Molecular Properties

Compound Name1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one
PubChem CID20671976
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one
SMILESC=S(C)CC(C)=O
InChIInChI=1S/C5H10OS/c1-5(6)4-7(2)3/h2,4H2,1,3H3
InChIKeyCWZZFQISADAAHI-UHFFFAOYSA-N
XLogP0.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one?
The IUPAC name of 1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one (CID 20671976) is 1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one.
What is the SMILES notation for 1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one?
The canonical SMILES for 1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one is C=S(C)CC(C)=O.
What is the InChIKey of 1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one?
The InChIKey is CWZZFQISADAAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-5(6)4-7(2)3/h2,4H2,1,3H3.
What are the key properties of 1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one?
1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one has a molecular weight of 118.20 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(methylidene)-λ4-sulfanyl]propan-2-one is sourced from PubChem (CID 20671976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).