2-(2-prop-1-en-2-yloxyethoxy)ethanethiol

C7H14O2S — CID 57069592

IUPAC2-(2-prop-1-en-2-yloxyethoxy)ethanethiol
SMILESC=C(C)OCCOCCS
InChIInChI=1S/C7H14O2S/c1-7(2)9-4-3-8-5-6-10/h10H,1,3-6H2,2H3
InChIKeyJBUNKFUJBHLGDR-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.48
Rot. Bonds6

About 2-(2-prop-1-en-2-yloxyethoxy)ethanethiol

2-(2-prop-1-en-2-yloxyethoxy)ethanethiol (PubChem CID 57069592) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 2-(2-prop-1-en-2-yloxyethoxy)ethanethiol.

Molecular Properties

Compound Name2-(2-prop-1-en-2-yloxyethoxy)ethanethiol
PubChem CID57069592
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name2-(2-prop-1-en-2-yloxyethoxy)ethanethiol
SMILESC=C(C)OCCOCCS
InChIInChI=1S/C7H14O2S/c1-7(2)9-4-3-8-5-6-10/h10H,1,3-6H2,2H3
InChIKeyJBUNKFUJBHLGDR-UHFFFAOYSA-N
XLogP1.48
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-1-en-2-yloxyethoxy)ethanethiol?
The IUPAC name of 2-(2-prop-1-en-2-yloxyethoxy)ethanethiol (CID 57069592) is 2-(2-prop-1-en-2-yloxyethoxy)ethanethiol.
What is the SMILES notation for 2-(2-prop-1-en-2-yloxyethoxy)ethanethiol?
The canonical SMILES for 2-(2-prop-1-en-2-yloxyethoxy)ethanethiol is C=C(C)OCCOCCS.
What is the InChIKey of 2-(2-prop-1-en-2-yloxyethoxy)ethanethiol?
The InChIKey is JBUNKFUJBHLGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-7(2)9-4-3-8-5-6-10/h10H,1,3-6H2,2H3.
What are the key properties of 2-(2-prop-1-en-2-yloxyethoxy)ethanethiol?
2-(2-prop-1-en-2-yloxyethoxy)ethanethiol has a molecular weight of 162.25 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-1-en-2-yloxyethoxy)ethanethiol is sourced from PubChem (CID 57069592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).