2-(methoxymethylsulfanyl)acetyl chloride

C4H7ClO2S — CID 21498671

IUPAC2-(methoxymethylsulfanyl)acetyl chloride
SMILESCOCSCC(=O)Cl
InChIInChI=1S/C4H7ClO2S/c1-7-3-8-2-4(5)6/h2-3H2,1H3
InChIKeyOFIAFSRLKUKDMT-UHFFFAOYSA-N
MW154.62 g/mol
LogP1.09
Rot. Bonds4

About 2-(methoxymethylsulfanyl)acetyl chloride

2-(methoxymethylsulfanyl)acetyl chloride (PubChem CID 21498671) has the molecular formula C4H7ClO2S and a molecular weight of 154.62 g/mol. Its IUPAC name is 2-(methoxymethylsulfanyl)acetyl chloride.

Molecular Properties

Compound Name2-(methoxymethylsulfanyl)acetyl chloride
PubChem CID21498671
Molecular FormulaC4H7ClO2S
Molecular Weight154.62 g/mol
Exact Mass153.99
IUPAC Name2-(methoxymethylsulfanyl)acetyl chloride
SMILESCOCSCC(=O)Cl
InChIInChI=1S/C4H7ClO2S/c1-7-3-8-2-4(5)6/h2-3H2,1H3
InChIKeyOFIAFSRLKUKDMT-UHFFFAOYSA-N
XLogP1.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.62
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(methoxymethylsulfanyl)acetyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethylsulfanyl)acetyl chloride?
The IUPAC name of 2-(methoxymethylsulfanyl)acetyl chloride (CID 21498671) is 2-(methoxymethylsulfanyl)acetyl chloride.
What is the SMILES notation for 2-(methoxymethylsulfanyl)acetyl chloride?
The canonical SMILES for 2-(methoxymethylsulfanyl)acetyl chloride is COCSCC(=O)Cl.
What is the InChIKey of 2-(methoxymethylsulfanyl)acetyl chloride?
The InChIKey is OFIAFSRLKUKDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO2S/c1-7-3-8-2-4(5)6/h2-3H2,1H3.
What are the key properties of 2-(methoxymethylsulfanyl)acetyl chloride?
2-(methoxymethylsulfanyl)acetyl chloride has a molecular weight of 154.62 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylsulfanyl)acetyl chloride is sourced from PubChem (CID 21498671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).