2-(2-methylsulfanylethoxy)acetic acid

C5H10O3S — CID 21069790

IUPAC2-(2-methylsulfanylethoxy)acetic acid
SMILESCSCCOCC(=O)O
InChIInChI=1S/C5H10O3S/c1-9-3-2-8-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKeyQJEDCICMMGVZDY-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.45
Rot. Bonds5

About 2-(2-methylsulfanylethoxy)acetic acid

2-(2-methylsulfanylethoxy)acetic acid (PubChem CID 21069790) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-(2-methylsulfanylethoxy)acetic acid.

Molecular Properties

Compound Name2-(2-methylsulfanylethoxy)acetic acid
PubChem CID21069790
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2-(2-methylsulfanylethoxy)acetic acid
SMILESCSCCOCC(=O)O
InChIInChI=1S/C5H10O3S/c1-9-3-2-8-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKeyQJEDCICMMGVZDY-UHFFFAOYSA-N
XLogP0.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methylsulfanylethoxy)acetic acid 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

2-Ethylsulfanylcarbothioyloxyacetic acid
CID 13360792
Dimethyl 2,2'-sulfanediylbis(hydroxyacetate)
CID 22181984
Poly(ethylene glycol) 2-mercaptoethyl ether acetic acid
CID 59866574
2-[2,3-Bis(acetylsulfanyl)propoxy]acetic acid
CID 474221
S-ethyl O-(ethoxy-carbonyl-methyl) dithiocarbonate
CID 11805921
2-(2-Ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid
CID 91602272
1,3-Bis(methylthio)-2-(carboxymethoxy)propane
CID 167993217
2-[2-(Trifluoromethylsulfanyl)ethoxy]acetic acid
CID 116614886
2-Fluoro-2-(2-methylsulfanylethoxy)acetic acid
CID 127019825
2-(3-Acetylsulfanylpropanoyloxy)acetic acid
CID 13687297
5-Oxo-1,3-oxathiolane-2-carboxylic acid
CID 15168211
Thiol-PEG-CH2COOH
CID 15238323

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylethoxy)acetic acid?
The IUPAC name of 2-(2-methylsulfanylethoxy)acetic acid (CID 21069790) is 2-(2-methylsulfanylethoxy)acetic acid.
What is the SMILES notation for 2-(2-methylsulfanylethoxy)acetic acid?
The canonical SMILES for 2-(2-methylsulfanylethoxy)acetic acid is CSCCOCC(=O)O.
What is the InChIKey of 2-(2-methylsulfanylethoxy)acetic acid?
The InChIKey is QJEDCICMMGVZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-9-3-2-8-4-5(6)7/h2-4H2,1H3,(H,6,7).
What are the key properties of 2-(2-methylsulfanylethoxy)acetic acid?
2-(2-methylsulfanylethoxy)acetic acid has a molecular weight of 150.20 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethoxy)acetic acid is sourced from PubChem (CID 21069790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).