2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid

C7H14O4S — CID 61069579

IUPAC2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid
SMILESCC(SCCOCCO)C(=O)O
InChIInChI=1S/C7H14O4S/c1-6(7(9)10)12-5-4-11-3-2-8/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyYRTOILQYFORPQX-UHFFFAOYSA-N
MW194.25 g/mol
LogP0.20
Rot. Bonds7

About 2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid

2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid (PubChem CID 61069579) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid
PubChem CID61069579
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid
SMILESCC(SCCOCCO)C(=O)O
InChIInChI=1S/C7H14O4S/c1-6(7(9)10)12-5-4-11-3-2-8/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyYRTOILQYFORPQX-UHFFFAOYSA-N
XLogP0.20
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic 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

3-Thiapentanoic acid, 5-ethoxy-2,4-dimethyl-5-oxo-
CID 61965644
3-Thiapentanoic acid, 5-ethoxy-2,2-dimethyl-5-oxo-
CID 78969237
Dimethyl 2,2'-sulfanediylbis(hydroxyacetate)
CID 22181984
Ethyl 2-((2-hydroxyethyl)thio)propionate
CID 3015787
Ethyl 3-[(2-hydroxyethyl)sulfanyl]propanoate
CID 13627332
2-(2-Ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid
CID 91602272
3-Thiapentanoic acid, 5-ethoxy-2-methyl-5-oxo-
CID 23422952
3-Thiapentanoic acid, 5-ethoxy-4-methyl-5-oxo-
CID 23422953
6,7-Dihydroxy-4-thiaoctanoic acid
CID 10631666
2-(3-Acetylsulfanylpropanoyloxy)acetic acid
CID 13687297
3-(3-Ethoxy-3-oxopropyl)sulfanylpropanoic acid
CID 18003352
2-Hydroxy-2-[1-hydroxy-2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylacetic acid
CID 19824256

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid (CID 61069579) is 2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid is CC(SCCOCCO)C(=O)O.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid?
The InChIKey is YRTOILQYFORPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4S/c1-6(7(9)10)12-5-4-11-3-2-8/h6,8H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid?
2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid has a molecular weight of 194.25 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoic acid is sourced from PubChem (CID 61069579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).