3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol

C6H10OS2 — CID 154368262

IUPAC3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol
SMILESSCC=COC=CCS
InChIInChI=1S/C6H10OS2/c8-5-1-3-7-4-2-6-9/h1-4,8-9H,5-6H2
InChIKeyLJKRXRBPLWKUTJ-UHFFFAOYSA-N
MW162.28 g/mol
LogP1.89
Rot. Bonds4

About 3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol

3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol (PubChem CID 154368262) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is 3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol.

Molecular Properties

Compound Name3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol
PubChem CID154368262
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC Name3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol
SMILESSCC=COC=CCS
InChIInChI=1S/C6H10OS2/c8-5-1-3-7-4-2-6-9/h1-4,8-9H,5-6H2
InChIKeyLJKRXRBPLWKUTJ-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol?
The IUPAC name of 3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol (CID 154368262) is 3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol.
What is the SMILES notation for 3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol?
The canonical SMILES for 3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol is SCC=COC=CCS.
What is the InChIKey of 3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol?
The InChIKey is LJKRXRBPLWKUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS2/c8-5-1-3-7-4-2-6-9/h1-4,8-9H,5-6H2.
What are the key properties of 3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol?
3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol has a molecular weight of 162.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-sulfanylprop-1-enoxy)prop-2-ene-1-thiol is sourced from PubChem (CID 154368262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).