O-methyl N-(2-methoxyethyl)carbamothioate

C5H11NO2S — CID 59253649

IUPACO-methyl N-(2-methoxyethyl)carbamothioate
SMILESCOCCNC(=S)OC
InChIInChI=1S/C5H11NO2S/c1-7-4-3-6-5(9)8-2/h3-4H2,1-2H3,(H,6,9)
InChIKeyRYFCHUOEISFFLS-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.15
Rot. Bonds3

About O-methyl N-(2-methoxyethyl)carbamothioate

O-methyl N-(2-methoxyethyl)carbamothioate (PubChem CID 59253649) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is O-methyl N-(2-methoxyethyl)carbamothioate.

Molecular Properties

Compound NameO-methyl N-(2-methoxyethyl)carbamothioate
PubChem CID59253649
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC NameO-methyl N-(2-methoxyethyl)carbamothioate
SMILESCOCCNC(=S)OC
InChIInChI=1S/C5H11NO2S/c1-7-4-3-6-5(9)8-2/h3-4H2,1-2H3,(H,6,9)
InChIKeyRYFCHUOEISFFLS-UHFFFAOYSA-N
XLogP0.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-methyl N-(2-methoxyethyl)carbamothioate?
The IUPAC name of O-methyl N-(2-methoxyethyl)carbamothioate (CID 59253649) is O-methyl N-(2-methoxyethyl)carbamothioate.
What is the SMILES notation for O-methyl N-(2-methoxyethyl)carbamothioate?
The canonical SMILES for O-methyl N-(2-methoxyethyl)carbamothioate is COCCNC(=S)OC.
What is the InChIKey of O-methyl N-(2-methoxyethyl)carbamothioate?
The InChIKey is RYFCHUOEISFFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-7-4-3-6-5(9)8-2/h3-4H2,1-2H3,(H,6,9).
What are the key properties of O-methyl N-(2-methoxyethyl)carbamothioate?
O-methyl N-(2-methoxyethyl)carbamothioate has a molecular weight of 149.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl N-(2-methoxyethyl)carbamothioate is sourced from PubChem (CID 59253649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).