(Z)-1-ethoxyprop-1-ene-1-thiol

C5H10OS — CID 134871898

IUPAC(Z)-1-ethoxyprop-1-ene-1-thiol
SMILESC/C=C(\S)OCC
InChIInChI=1S/C5H10OS/c1-3-5(7)6-4-2/h3,7H,4H2,1-2H3/b5-3-
InChIKeyXRVPSUHMHXFAPX-HYXAFXHYSA-N
MW118.20 g/mol
LogP1.81
Rot. Bonds2

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

(Z)-1-ethoxyprop-1-ene-1-thiol (PubChem CID 134871898) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is (Z)-1-ethoxyprop-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-1-ethoxyprop-1-ene-1-thiol
PubChem CID134871898
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name(Z)-1-ethoxyprop-1-ene-1-thiol
SMILESC/C=C(\S)OCC
InChIInChI=1S/C5H10OS/c1-3-5(7)6-4-2/h3,7H,4H2,1-2H3/b5-3-
InChIKeyXRVPSUHMHXFAPX-HYXAFXHYSA-N
XLogP1.81
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

(Z)-1-methoxyprop-1-ene-1-thiolate
CID 134871895
(Z)-1-ethoxyprop-1-ene-1-thiolate
CID 134871897
1-Methoxy-1-methylsulfanylprop-1-ene
CID 73828511
3-Propoxyprop-2-ene-1-thiol
CID 152392019
(Z)-2-deuterio-1-methoxy-1-methylsulfanylprop-1-ene
CID 21718336
(Z)-1-methoxy-1-methylsulfanylprop-1-ene
CID 21718337
(Z)-1-methoxyprop-1-ene-1-thiol
CID 134871896

Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethoxyprop-1-ene-1-thiol?
The IUPAC name of (Z)-1-ethoxyprop-1-ene-1-thiol (CID 134871898) is (Z)-1-ethoxyprop-1-ene-1-thiol.
What is the SMILES notation for (Z)-1-ethoxyprop-1-ene-1-thiol?
The canonical SMILES for (Z)-1-ethoxyprop-1-ene-1-thiol is C/C=C(\S)OCC.
What is the InChIKey of (Z)-1-ethoxyprop-1-ene-1-thiol?
The InChIKey is XRVPSUHMHXFAPX-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H10OS/c1-3-5(7)6-4-2/h3,7H,4H2,1-2H3/b5-3-.
What are the key properties of (Z)-1-ethoxyprop-1-ene-1-thiol?
(Z)-1-ethoxyprop-1-ene-1-thiol has a molecular weight of 118.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethoxyprop-1-ene-1-thiol is sourced from PubChem (CID 134871898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).