O-Methyl methylcarbamothioate
Basic information
- CAS
14128-35-9- Standard SMILES
CNC(=S)OC- InChIKey
MBFXKQNDKGMHIY-UHFFFAOYSA-N- Molecular formula
- C3H7NOS
- Average molar mass
- 105.16 g/mol
- Monoisotopic mass
- 105.02483502
Names & identifiers
- Preferred name
- O-Methyl methylcarbamothioate
- IUPAC
- O-methyl N-methylcarbamothioate
Names & synonyms
O-Methyl methylcarbamothioateCarbamothioic acid, methyl-, O-methyl ester14128-35-9methylcarbamothioic acid O-methyl esterSCHEMBL1694963SCHEMBL6194927SCHEMBL7314149SCHEMBL13463384DTXSID60931063AKOS006349715Methyl-thiocarbamic acid O-methyl esterO-Methyl hydrogen methylcarbonimidothioate
Database identifiers
- CAS
14128-35-9- PubChem CID
- 10953441
- DTXSID
DTXSID60931063- Nikkaji
- J2.014.398C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 54.8
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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