(Z)-1-ethoxyprop-1-ene-1-thiolate

C5H9OS- — CID 134871897

IUPAC(Z)-1-ethoxyprop-1-ene-1-thiolate
SMILESC/C=C(\[S-])OCC
InChIInChI=1S/C5H10OS/c1-3-5(7)6-4-2/h3,7H,4H2,1-2H3/p-1/b5-3-
InChIKeyXRVPSUHMHXFAPX-HYXAFXHYSA-M
MW117.19 g/mol
LogP1.43
Rot. Bonds2

About (Z)-1-ethoxyprop-1-ene-1-thiolate

(Z)-1-ethoxyprop-1-ene-1-thiolate (PubChem CID 134871897) has the molecular formula C5H9OS- and a molecular weight of 117.19 g/mol. Its IUPAC name is (Z)-1-ethoxyprop-1-ene-1-thiolate.

Molecular Properties

Compound Name(Z)-1-ethoxyprop-1-ene-1-thiolate
PubChem CID134871897
Molecular FormulaC5H9OS-
Molecular Weight117.19 g/mol
Exact Mass117.04
IUPAC Name(Z)-1-ethoxyprop-1-ene-1-thiolate
SMILESC/C=C(\[S-])OCC
InChIInChI=1S/C5H10OS/c1-3-5(7)6-4-2/h3,7H,4H2,1-2H3/p-1/b5-3-
InChIKeyXRVPSUHMHXFAPX-HYXAFXHYSA-M
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-methoxyprop-1-ene-1-thiolate
CID 134871895
(Z)-1-ethoxy-1-ethylsulfanylprop-1-ene
CID 134987287
1-Methoxy-1-methylsulfanylprop-1-ene
CID 73828511
(Z)-2-deuterio-1-methoxy-1-methylsulfanylprop-1-ene
CID 21718336
(Z)-1-methoxy-1-methylsulfanylprop-1-ene
CID 21718337
5-Ethoxydithiole-3-thione
CID 85683624
(Z)-1-methoxyprop-1-ene-1-thiol
CID 134871896
(Z)-1-ethoxyprop-1-ene-1-thiol
CID 134871898

Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethoxyprop-1-ene-1-thiolate?
The IUPAC name of (Z)-1-ethoxyprop-1-ene-1-thiolate (CID 134871897) is (Z)-1-ethoxyprop-1-ene-1-thiolate.
What is the SMILES notation for (Z)-1-ethoxyprop-1-ene-1-thiolate?
The canonical SMILES for (Z)-1-ethoxyprop-1-ene-1-thiolate is C/C=C(\[S-])OCC.
What is the InChIKey of (Z)-1-ethoxyprop-1-ene-1-thiolate?
The InChIKey is XRVPSUHMHXFAPX-HYXAFXHYSA-M. The full InChI is InChI=1S/C5H10OS/c1-3-5(7)6-4-2/h3,7H,4H2,1-2H3/p-1/b5-3-.
What are the key properties of (Z)-1-ethoxyprop-1-ene-1-thiolate?
(Z)-1-ethoxyprop-1-ene-1-thiolate has a molecular weight of 117.19 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethoxyprop-1-ene-1-thiolate is sourced from PubChem (CID 134871897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).