(Z)-1-methoxyprop-1-ene-1-thiolate

C4H7OS- — CID 134871895

IUPAC(Z)-1-methoxyprop-1-ene-1-thiolate
SMILESC/C=C(\[S-])OC
InChIInChI=1S/C4H8OS/c1-3-4(6)5-2/h3,6H,1-2H3/p-1/b4-3-
InChIKeyWFWHYXZCCGECFU-ARJAWSKDSA-M
MW103.17 g/mol
LogP1.04
Rot. Bonds1

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

(Z)-1-methoxyprop-1-ene-1-thiolate (PubChem CID 134871895) has the molecular formula C4H7OS- and a molecular weight of 103.17 g/mol. Its IUPAC name is (Z)-1-methoxyprop-1-ene-1-thiolate.

Molecular Properties

Compound Name(Z)-1-methoxyprop-1-ene-1-thiolate
PubChem CID134871895
Molecular FormulaC4H7OS-
Molecular Weight103.17 g/mol
Exact Mass103.02
IUPAC Name(Z)-1-methoxyprop-1-ene-1-thiolate
SMILESC/C=C(\[S-])OC
InChIInChI=1S/C4H8OS/c1-3-4(6)5-2/h3,6H,1-2H3/p-1/b4-3-
InChIKeyWFWHYXZCCGECFU-ARJAWSKDSA-M
XLogP1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 51.04
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-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-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-methoxyprop-1-ene-1-thiolate?
The IUPAC name of (Z)-1-methoxyprop-1-ene-1-thiolate (CID 134871895) is (Z)-1-methoxyprop-1-ene-1-thiolate.
What is the SMILES notation for (Z)-1-methoxyprop-1-ene-1-thiolate?
The canonical SMILES for (Z)-1-methoxyprop-1-ene-1-thiolate is C/C=C(\[S-])OC.
What is the InChIKey of (Z)-1-methoxyprop-1-ene-1-thiolate?
The InChIKey is WFWHYXZCCGECFU-ARJAWSKDSA-M. The full InChI is InChI=1S/C4H8OS/c1-3-4(6)5-2/h3,6H,1-2H3/p-1/b4-3-.
What are the key properties of (Z)-1-methoxyprop-1-ene-1-thiolate?
(Z)-1-methoxyprop-1-ene-1-thiolate has a molecular weight of 103.17 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methoxyprop-1-ene-1-thiolate is sourced from PubChem (CID 134871895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).