2-ethoxypropyl 2-sulfanylpropanoate

C8H16O3S — CID 91229316

IUPAC2-ethoxypropyl 2-sulfanylpropanoate
SMILESCCOC(C)COC(=O)C(C)S
InChIInChI=1S/C8H16O3S/c1-4-10-6(2)5-11-8(9)7(3)12/h6-7,12H,4-5H2,1-3H3
InChIKeyNAVUWLCNSRFVKH-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.27
Rot. Bonds5

About 2-ethoxypropyl 2-sulfanylpropanoate

2-ethoxypropyl 2-sulfanylpropanoate (PubChem CID 91229316) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-ethoxypropyl 2-sulfanylpropanoate.

Molecular Properties

Compound Name2-ethoxypropyl 2-sulfanylpropanoate
PubChem CID91229316
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name2-ethoxypropyl 2-sulfanylpropanoate
SMILESCCOC(C)COC(=O)C(C)S
InChIInChI=1S/C8H16O3S/c1-4-10-6(2)5-11-8(9)7(3)12/h6-7,12H,4-5H2,1-3H3
InChIKeyNAVUWLCNSRFVKH-UHFFFAOYSA-N
XLogP1.27
TPSA35.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-ethoxypropyl 2,2-dimethylbutanoate
CID 177277307
2-(2-ethoxypropoxy)propyl pentanoate
CID 87425057
(2S)-2-(2-ethoxypropoxy)propanoic acid
CID 151300849
2-methylpropyl 2-sulfanylpentanoate
CID 87341273
2-(2-methylpropoxy)propyl 2-methylbutanoate
CID 174484897
2-ethoxy-1-(2-ethoxypropoxy)propane
CID 21277912
1-ethoxypropan-2-yl acetate;2-ethoxypropyl acetate;methane
CID 161069991
2-(2-ethoxypropoxy)propyl acetate;2-(2-hydroxypropoxy)propan-1-ol
CID 158412024
2-(2-ethoxypropoxy)propyl benzoate
CID 155435285
(2R)-1,2-diethoxypropane
CID 92973991
3-ethoxybutanoic acid
CID 20508399
1-ethoxyethyl 2,2-bis(sulfanyl)acetate
CID 22183059

Frequently Asked Questions

What is the IUPAC name of 2-ethoxypropyl 2-sulfanylpropanoate?
The IUPAC name of 2-ethoxypropyl 2-sulfanylpropanoate (CID 91229316) is 2-ethoxypropyl 2-sulfanylpropanoate.
What is the SMILES notation for 2-ethoxypropyl 2-sulfanylpropanoate?
The canonical SMILES for 2-ethoxypropyl 2-sulfanylpropanoate is CCOC(C)COC(=O)C(C)S.
What is the InChIKey of 2-ethoxypropyl 2-sulfanylpropanoate?
The InChIKey is NAVUWLCNSRFVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-4-10-6(2)5-11-8(9)7(3)12/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 2-ethoxypropyl 2-sulfanylpropanoate?
2-ethoxypropyl 2-sulfanylpropanoate has a molecular weight of 192.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypropyl 2-sulfanylpropanoate is sourced from PubChem (CID 91229316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).