2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol

C7H14O3S — CID 156674386

IUPAC2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol
SMILESSCCOCCOCC1CO1
InChIInChI=1S/C7H14O3S/c11-4-3-8-1-2-9-5-7-6-10-7/h7,11H,1-6H2
InChIKeyUCVIZJMBCRNVJO-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.35
Rot. Bonds7

About 2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol

2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol (PubChem CID 156674386) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol.

Molecular Properties

Compound Name2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol
PubChem CID156674386
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol
SMILESSCCOCCOCC1CO1
InChIInChI=1S/C7H14O3S/c11-4-3-8-1-2-9-5-7-6-10-7/h7,11H,1-6H2
InChIKeyUCVIZJMBCRNVJO-UHFFFAOYSA-N
XLogP0.35
TPSA30.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154070356
2-[2-[2-(cyclopropylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 89079137
CID 57064791
CID 57064791
O-[2-(oxiran-2-ylmethoxy)ethyl]hydroxylamine
CID 163419249
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane
CID 15527223

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol?
The IUPAC name of 2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol (CID 156674386) is 2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol.
What is the SMILES notation for 2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol?
The canonical SMILES for 2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol is SCCOCCOCC1CO1.
What is the InChIKey of 2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol?
The InChIKey is UCVIZJMBCRNVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c11-4-3-8-1-2-9-5-7-6-10-7/h7,11H,1-6H2.
What are the key properties of 2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol?
2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol has a molecular weight of 178.25 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol is sourced from PubChem (CID 156674386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).