2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol

C9H20O3S3 — CID 18346267

IUPAC2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol
SMILESSCCOCC(COCCS)OCCS
InChIInChI=1S/C9H20O3S3/c13-4-1-10-7-9(12-3-6-15)8-11-2-5-14/h9,13-15H,1-8H2
InChIKeyUCITWMFXLUEJAL-UHFFFAOYSA-N
MW272.46 g/mol
LogP1.19
Rot. Bonds11

About 2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol

2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol (PubChem CID 18346267) has the molecular formula C9H20O3S3 and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol.

Molecular Properties

Compound Name2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol
PubChem CID18346267
Molecular FormulaC9H20O3S3
Molecular Weight272.46 g/mol
Exact Mass272.06
IUPAC Name2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol
SMILESSCCOCC(COCCS)OCCS
InChIInChI=1S/C9H20O3S3/c13-4-1-10-7-9(12-3-6-15)8-11-2-5-14/h9,13-15H,1-8H2
InChIKeyUCITWMFXLUEJAL-UHFFFAOYSA-N
XLogP1.19
TPSA27.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Tetra(ethylene glycol) dithiol
CID 12090042
[3-(Sulfanylmethyl)-1,4,7,10,13,16-hexaoxacyclooctadec-2-yl]methanethiol
CID 12539739
1,3-Bis(2-hydroxy-3-sulfanylpropoxy)propan-2-ol
CID 20545664
4-[2-(2-Sulfanylethoxy)ethoxy]butane-1-thiol
CID 20612687
3,4,5-Trimethoxypentane-1,2-dithiol
CID 21513507
3-(2,3-Dimethoxypropoxy)propane-1,2-dithiol
CID 21908820
3-[2,3-Bis(3-sulfanylpropoxy)propoxy]propane-1-thiol
CID 23290256
2,3-Diethoxypropane-1-thiol
CID 57104694
1-[2-(2-Sulfanylpropoxy)propoxy]propane-2-thiol
CID 57130674
1-[3-(2-Sulfanylpropoxy)butoxy]propane-2-thiol
CID 57171854
1-[2-(2-Sulfanylpropoxy)ethoxy]propane-2-thiol
CID 57193062
1-[[5-(2-Sulfanylpropoxymethyl)-1,4-dioxan-2-yl]methoxy]propane-2-thiol
CID 57308529

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol?
The IUPAC name of 2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol (CID 18346267) is 2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol.
What is the SMILES notation for 2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol?
The canonical SMILES for 2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol is SCCOCC(COCCS)OCCS.
What is the InChIKey of 2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol?
The InChIKey is UCITWMFXLUEJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S3/c13-4-1-10-7-9(12-3-6-15)8-11-2-5-14/h9,13-15H,1-8H2.
What are the key properties of 2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol?
2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol has a molecular weight of 272.46 g/mol, XLogP of 1.19, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(2-sulfanylethoxy)propoxy]ethanethiol is sourced from PubChem (CID 18346267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).