2-(3,5-dimethoxyphenoxy)ethanethiol;ethane

C14H26O3S — CID 144886217

IUPAC2-(3,5-dimethoxyphenoxy)ethanethiol;ethane
SMILESCC.CC.COc1cc(OC)cc(OCCS)c1
InChIInChI=1S/C10H14O3S.2C2H6/c1-11-8-5-9(12-2)7-10(6-8)13-3-4-14;2*1-2/h5-7,14H,3-4H2,1-2H3;2*1-2H3
InChIKeyQYVIWKJDAQWHGC-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.06
Rot. Bonds5

About 2-(3,5-dimethoxyphenoxy)ethanethiol;ethane

2-(3,5-dimethoxyphenoxy)ethanethiol;ethane (PubChem CID 144886217) has the molecular formula C14H26O3S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenoxy)ethanethiol;ethane.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenoxy)ethanethiol;ethane
PubChem CID144886217
Molecular FormulaC14H26O3S
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name2-(3,5-dimethoxyphenoxy)ethanethiol;ethane
SMILESCC.CC.COc1cc(OC)cc(OCCS)c1
InChIInChI=1S/C10H14O3S.2C2H6/c1-11-8-5-9(12-2)7-10(6-8)13-3-4-14;2*1-2/h5-7,14H,3-4H2,1-2H3;2*1-2H3
InChIKeyQYVIWKJDAQWHGC-UHFFFAOYSA-N
XLogP4.06
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenoxy)ethanethiol;ethane?
The IUPAC name of 2-(3,5-dimethoxyphenoxy)ethanethiol;ethane (CID 144886217) is 2-(3,5-dimethoxyphenoxy)ethanethiol;ethane.
What is the SMILES notation for 2-(3,5-dimethoxyphenoxy)ethanethiol;ethane?
The canonical SMILES for 2-(3,5-dimethoxyphenoxy)ethanethiol;ethane is CC.CC.COc1cc(OC)cc(OCCS)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenoxy)ethanethiol;ethane?
The InChIKey is QYVIWKJDAQWHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S.2C2H6/c1-11-8-5-9(12-2)7-10(6-8)13-3-4-14;2*1-2/h5-7,14H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenoxy)ethanethiol;ethane?
2-(3,5-dimethoxyphenoxy)ethanethiol;ethane has a molecular weight of 274.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenoxy)ethanethiol;ethane is sourced from PubChem (CID 144886217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).