1-prop-2-enoxyethane-1,2-dithiol

C5H10OS2 — CID 170350349

IUPAC1-prop-2-enoxyethane-1,2-dithiol
SMILESC=CCOC(S)CS
InChIInChI=1S/C5H10OS2/c1-2-3-6-5(8)4-7/h2,5,7-8H,1,3-4H2
InChIKeyJLXNKRLTCLITKA-UHFFFAOYSA-N
MW150.27 g/mol
LogP1.37
Rot. Bonds4

About 1-prop-2-enoxyethane-1,2-dithiol

1-prop-2-enoxyethane-1,2-dithiol (PubChem CID 170350349) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is 1-prop-2-enoxyethane-1,2-dithiol.

Molecular Properties

Compound Name1-prop-2-enoxyethane-1,2-dithiol
PubChem CID170350349
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Name1-prop-2-enoxyethane-1,2-dithiol
SMILESC=CCOC(S)CS
InChIInChI=1S/C5H10OS2/c1-2-3-6-5(8)4-7/h2,5,7-8H,1,3-4H2
InChIKeyJLXNKRLTCLITKA-UHFFFAOYSA-N
XLogP1.37
TPSA9.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 51.37
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-prop-2-enoxyethane-1,2-dithiol?
The IUPAC name of 1-prop-2-enoxyethane-1,2-dithiol (CID 170350349) is 1-prop-2-enoxyethane-1,2-dithiol.
What is the SMILES notation for 1-prop-2-enoxyethane-1,2-dithiol?
The canonical SMILES for 1-prop-2-enoxyethane-1,2-dithiol is C=CCOC(S)CS.
What is the InChIKey of 1-prop-2-enoxyethane-1,2-dithiol?
The InChIKey is JLXNKRLTCLITKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2/c1-2-3-6-5(8)4-7/h2,5,7-8H,1,3-4H2.
What are the key properties of 1-prop-2-enoxyethane-1,2-dithiol?
1-prop-2-enoxyethane-1,2-dithiol has a molecular weight of 150.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxyethane-1,2-dithiol is sourced from PubChem (CID 170350349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).