O-methyl 2-aminoethanethioate

C3H7NOS — CID 140974503

IUPACO-methyl 2-aminoethanethioate
SMILESCOC(=S)CN
InChIInChI=1S/C3H7NOS/c1-5-3(6)2-4/h2,4H2,1H3
InChIKeyOALOQJABBPDVRB-UHFFFAOYSA-N
MW105.16 g/mol
LogP-0.08
Rot. Bonds1

About O-methyl 2-aminoethanethioate

O-methyl 2-aminoethanethioate (PubChem CID 140974503) has the molecular formula C3H7NOS and a molecular weight of 105.16 g/mol. Its IUPAC name is O-methyl 2-aminoethanethioate.

Molecular Properties

Compound NameO-methyl 2-aminoethanethioate
PubChem CID140974503
Molecular FormulaC3H7NOS
Molecular Weight105.16 g/mol
Exact Mass105.02
IUPAC NameO-methyl 2-aminoethanethioate
SMILESCOC(=S)CN
InChIInChI=1S/C3H7NOS/c1-5-3(6)2-4/h2,4H2,1H3
InChIKeyOALOQJABBPDVRB-UHFFFAOYSA-N
XLogP-0.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate
CID 139975522
O-methyl 8-aminooctanethioate;hydrochloride
CID 141478789
potassium;hydride;methyl 2-aminoacetate
CID 175381316
O-methyl 3-hydroxybutanethioate
CID 87475263
iron;bis(O-methyl carbamothioate)
CID 87395326
potassium 2-aminoethanethioate
CID 155674120
bismuthane;bis(O-methyl carbamothioate)
CID 172996022
azane;O-methyl carbamothioate
CID 162314519
methyl 2-aminoacetate;methyl carbamodithioate
CID 175268095
methyl 2-amino-N-methylethanimidate
CID 44784852
N'-(2-methoxyethyl)ethanedithioamide
CID 12684688
O-methyl 2-pyrrol-1-ylethanethioate
CID 177088519

Frequently Asked Questions

What is the IUPAC name of O-methyl 2-aminoethanethioate?
The IUPAC name of O-methyl 2-aminoethanethioate (CID 140974503) is O-methyl 2-aminoethanethioate.
What is the SMILES notation for O-methyl 2-aminoethanethioate?
The canonical SMILES for O-methyl 2-aminoethanethioate is COC(=S)CN.
What is the InChIKey of O-methyl 2-aminoethanethioate?
The InChIKey is OALOQJABBPDVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS/c1-5-3(6)2-4/h2,4H2,1H3.
What are the key properties of O-methyl 2-aminoethanethioate?
O-methyl 2-aminoethanethioate has a molecular weight of 105.16 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl 2-aminoethanethioate is sourced from PubChem (CID 140974503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).