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

C6H10OS2 — CID 87282897

IUPAC1-(1-sulfanylprop-2-enoxy)prop-2-ene-1-thiol
SMILESC=CC(S)OC(S)C=C
InChIInChI=1S/C6H10OS2/c1-3-5(8)7-6(9)4-2/h3-6,8-9H,1-2H2
InChIKeyAXIUHWRDANHAEN-UHFFFAOYSA-N
MW162.28 g/mol
LogP1.89
Rot. Bonds4

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

1-(1-sulfanylprop-2-enoxy)prop-2-ene-1-thiol (PubChem CID 87282897) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-(1-sulfanylprop-2-enoxy)prop-2-ene-1-thiol.

Molecular Properties

Compound Name1-(1-sulfanylprop-2-enoxy)prop-2-ene-1-thiol
PubChem CID87282897
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC Name1-(1-sulfanylprop-2-enoxy)prop-2-ene-1-thiol
SMILESC=CC(S)OC(S)C=C
InChIInChI=1S/C6H10OS2/c1-3-5(8)7-6(9)4-2/h3-6,8-9H,1-2H2
InChIKeyAXIUHWRDANHAEN-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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-sulfanylprop-2-enoxy)prop-2-ene-1-thiol?
The IUPAC name of 1-(1-sulfanylprop-2-enoxy)prop-2-ene-1-thiol (CID 87282897) is 1-(1-sulfanylprop-2-enoxy)prop-2-ene-1-thiol.
What is the SMILES notation for 1-(1-sulfanylprop-2-enoxy)prop-2-ene-1-thiol?
The canonical SMILES for 1-(1-sulfanylprop-2-enoxy)prop-2-ene-1-thiol is C=CC(S)OC(S)C=C.
What is the InChIKey of 1-(1-sulfanylprop-2-enoxy)prop-2-ene-1-thiol?
The InChIKey is AXIUHWRDANHAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS2/c1-3-5(8)7-6(9)4-2/h3-6,8-9H,1-2H2.
What are the key properties of 1-(1-sulfanylprop-2-enoxy)prop-2-ene-1-thiol?
1-(1-sulfanylprop-2-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 1-(1-sulfanylprop-2-enoxy)prop-2-ene-1-thiol is sourced from PubChem (CID 87282897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).