2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol

C10H22O4S — CID 172538791

IUPAC2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol
SMILESCOCC(C)OCCOCCOCCS
InChIInChI=1S/C10H22O4S/c1-10(9-11-2)14-6-5-12-3-4-13-7-8-15/h10,15H,3-9H2,1-2H3
InChIKeyJSAMANGDRJXMMT-UHFFFAOYSA-N
MW238.35 g/mol
LogP1.00
Rot. Bonds11

About 2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol

2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol (PubChem CID 172538791) has the molecular formula C10H22O4S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol.

Molecular Properties

Compound Name2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol
PubChem CID172538791
Molecular FormulaC10H22O4S
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Name2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol
SMILESCOCC(C)OCCOCCOCCS
InChIInChI=1S/C10H22O4S/c1-10(9-11-2)14-6-5-12-3-4-13-7-8-15/h10,15H,3-9H2,1-2H3
InChIKeyJSAMANGDRJXMMT-UHFFFAOYSA-N
XLogP1.00
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Butoxyethoxy)ethanethiol
CID 237355
2,5,8,11,14,17,20-Heptaoxadocosane-22-thiol
CID 16218250
[3-(Sulfanylmethyl)-1,4,7,10,13,16-hexaoxacyclooctadec-2-yl]methanethiol
CID 12539739
1-(2-Ethoxyethoxy)butane-2-thiol
CID 17769797
2-[2,3-Bis(2-sulfanylethoxy)propoxy]ethanethiol
CID 18346267
3-(2,3-Dimethoxypropoxy)propane-1,2-dithiol
CID 21908820
1-(2-Propoxyethoxy)propane-2-thiol
CID 22114420
1,4,7,10,13,16-Hexaoxacyclooctadecane-2-thiol
CID 22492599
3-[2,3-Bis(3-sulfanylpropoxy)propoxy]propane-1-thiol
CID 23290256
2,5,8,11-Tetraoxatridecane-13-thiol
CID 53400964
2,5,8,11,14,17-Hexaoxanonadecane-19-thiol
CID 53401075
2,5,8,11,14-Pentaoxahexadecane-16-thiol
CID 53401076

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol?
The IUPAC name of 2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol (CID 172538791) is 2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol.
What is the SMILES notation for 2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol?
The canonical SMILES for 2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol is COCC(C)OCCOCCOCCS.
What is the InChIKey of 2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol?
The InChIKey is JSAMANGDRJXMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S/c1-10(9-11-2)14-6-5-12-3-4-13-7-8-15/h10,15H,3-9H2,1-2H3.
What are the key properties of 2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol?
2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol has a molecular weight of 238.35 g/mol, XLogP of 1.00, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol is sourced from PubChem (CID 172538791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).