1-methoxyethenethiolate

C3H5OS- — CID 134871761

IUPAC1-methoxyethenethiolate
SMILESC=C([S-])OC
InChIInChI=1S/C3H6OS/c1-3(5)4-2/h5H,1H2,2H3/p-1
InChIKeyUFNKOKAVXWUVLQ-UHFFFAOYSA-M
MW89.14 g/mol
LogP0.65
Rot. Bonds1

About 1-methoxyethenethiolate

1-methoxyethenethiolate (PubChem CID 134871761) has the molecular formula C3H5OS- and a molecular weight of 89.14 g/mol. Its IUPAC name is 1-methoxyethenethiolate.

Molecular Properties

Compound Name1-methoxyethenethiolate
PubChem CID134871761
Molecular FormulaC3H5OS-
Molecular Weight89.14 g/mol
Exact Mass89.01
IUPAC Name1-methoxyethenethiolate
SMILESC=C([S-])OC
InChIInChI=1S/C3H6OS/c1-3(5)4-2/h5H,1H2,2H3/p-1
InChIKeyUFNKOKAVXWUVLQ-UHFFFAOYSA-M
XLogP0.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 50.65
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

1-chloro-1-methoxyethene
CID 20553412
fluoromethane;2-methoxyprop-1-ene
CID 143721713
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1-methoxy-N-methylethenamine
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N-(1-methoxyethenyl)methanimine
CID 123326065
2-methoxybut-1-en-3-yne
CID 11126175
methyl 2-hydroxy(113C)prop-2-enoate
CID 102061345
dimethoxy(methyl)borane;ethane;2-methylprop-1-ene
CID 157498459
CID 123399689
CID 123399689
3-chloro-2-methoxy-3-methylbut-1-ene
CID 144521086
methyl 2-methylprop-2-enoate;nickel
CID 88732958
1-methoxyethenolate;tris(propan-2-olate);titanium(4+)
CID 100955524

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethenethiolate?
The IUPAC name of 1-methoxyethenethiolate (CID 134871761) is 1-methoxyethenethiolate.
What is the SMILES notation for 1-methoxyethenethiolate?
The canonical SMILES for 1-methoxyethenethiolate is C=C([S-])OC.
What is the InChIKey of 1-methoxyethenethiolate?
The InChIKey is UFNKOKAVXWUVLQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6OS/c1-3(5)4-2/h5H,1H2,2H3/p-1.
What are the key properties of 1-methoxyethenethiolate?
1-methoxyethenethiolate has a molecular weight of 89.14 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethenethiolate is sourced from PubChem (CID 134871761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).