(3-methoxy-2-oxopropyl)-dimethylsulfanium

C6H13O2S+ — CID 58905987

IUPAC(3-methoxy-2-oxopropyl)-dimethylsulfanium
SMILESCOCC(=O)C[S+](C)C
InChIInChI=1S/C6H13O2S/c1-8-4-6(7)5-9(2)3/h4-5H2,1-3H3/q+1
InChIKeyOBDDLFWVRCCEKS-UHFFFAOYSA-N
MW149.23 g/mol
LogP0.08
Rot. Bonds4

About (3-methoxy-2-oxopropyl)-dimethylsulfanium

(3-methoxy-2-oxopropyl)-dimethylsulfanium (PubChem CID 58905987) has the molecular formula C6H13O2S+ and a molecular weight of 149.23 g/mol. Its IUPAC name is (3-methoxy-2-oxopropyl)-dimethylsulfanium.

Molecular Properties

Compound Name(3-methoxy-2-oxopropyl)-dimethylsulfanium
PubChem CID58905987
Molecular FormulaC6H13O2S+
Molecular Weight149.23 g/mol
Exact Mass149.06
IUPAC Name(3-methoxy-2-oxopropyl)-dimethylsulfanium
SMILESCOCC(=O)C[S+](C)C
InChIInChI=1S/C6H13O2S/c1-8-4-6(7)5-9(2)3/h4-5H2,1-3H3/q+1
InChIKeyOBDDLFWVRCCEKS-UHFFFAOYSA-N
XLogP0.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-methoxy-2-oxopropyl)-dimethylsulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-Methyl 2-propoxypropanethioate
CID 16205885
1,3-Oxathiolane, 2-acetyl-2-methyl-
CID 538803
1-Butylthio-1-ethoxy-2-propanone
CID 13552703
3-Ethylsulfanyl-3-methoxybutan-2-one
CID 15473441
2-Methoxythiolan-3-one
CID 12622841
3-Methoxy-1,1-bis(methylsulfanyl)propan-2-one
CID 10329941
1-Butoxy-1-butylsulfanyl-2-propanone
CID 12170448
1-(2-Hydroxyethylsulfanyl)-1-methoxypropan-2-one
CID 12622837
1-(1,3-Oxathiolan-2-yl)ethan-1-one
CID 12622844
1-(1,3-Oxathian-2-yl)ethanone
CID 12688715
2,2-Dimethyl-1,3-oxathian-5-one
CID 134854103
2-Propanone, 1-[(methylthio)methoxy]-
CID 13423932

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-oxopropyl)-dimethylsulfanium?
The IUPAC name of (3-methoxy-2-oxopropyl)-dimethylsulfanium (CID 58905987) is (3-methoxy-2-oxopropyl)-dimethylsulfanium.
What is the SMILES notation for (3-methoxy-2-oxopropyl)-dimethylsulfanium?
The canonical SMILES for (3-methoxy-2-oxopropyl)-dimethylsulfanium is COCC(=O)C[S+](C)C.
What is the InChIKey of (3-methoxy-2-oxopropyl)-dimethylsulfanium?
The InChIKey is OBDDLFWVRCCEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2S/c1-8-4-6(7)5-9(2)3/h4-5H2,1-3H3/q+1.
What are the key properties of (3-methoxy-2-oxopropyl)-dimethylsulfanium?
(3-methoxy-2-oxopropyl)-dimethylsulfanium has a molecular weight of 149.23 g/mol, XLogP of 0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-oxopropyl)-dimethylsulfanium is sourced from PubChem (CID 58905987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).