(Z)-1-methoxyprop-1-ene-1-thiol

C4H8OS — CID 134871896

IUPAC(Z)-1-methoxyprop-1-ene-1-thiol
SMILESC/C=C(\S)OC
InChIInChI=1S/C4H8OS/c1-3-4(6)5-2/h3,6H,1-2H3/b4-3-
InChIKeyWFWHYXZCCGECFU-ARJAWSKDSA-N
MW104.17 g/mol
LogP1.42
Rot. Bonds1

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

(Z)-1-methoxyprop-1-ene-1-thiol (PubChem CID 134871896) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is (Z)-1-methoxyprop-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-1-methoxyprop-1-ene-1-thiol
PubChem CID134871896
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name(Z)-1-methoxyprop-1-ene-1-thiol
SMILESC/C=C(\S)OC
InChIInChI=1S/C4H8OS/c1-3-4(6)5-2/h3,6H,1-2H3/b4-3-
InChIKeyWFWHYXZCCGECFU-ARJAWSKDSA-N
XLogP1.42
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 51.42
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
(Z)-2-deuterio-1-methoxy-1-methylsulfanylprop-1-ene
CID 21718336
(Z)-1-methoxy-1-methylsulfanylprop-1-ene
CID 21718337
(Z)-1-ethoxyprop-1-ene-1-thiol
CID 134871898

Frequently Asked Questions

What is the IUPAC name of (Z)-1-methoxyprop-1-ene-1-thiol?
The IUPAC name of (Z)-1-methoxyprop-1-ene-1-thiol (CID 134871896) is (Z)-1-methoxyprop-1-ene-1-thiol.
What is the SMILES notation for (Z)-1-methoxyprop-1-ene-1-thiol?
The canonical SMILES for (Z)-1-methoxyprop-1-ene-1-thiol is C/C=C(\S)OC.
What is the InChIKey of (Z)-1-methoxyprop-1-ene-1-thiol?
The InChIKey is WFWHYXZCCGECFU-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H8OS/c1-3-4(6)5-2/h3,6H,1-2H3/b4-3-.
What are the key properties of (Z)-1-methoxyprop-1-ene-1-thiol?
(Z)-1-methoxyprop-1-ene-1-thiol has a molecular weight of 104.17 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methoxyprop-1-ene-1-thiol is sourced from PubChem (CID 134871896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).