N-Methyl-N-[(methylsulfanyl)carbonothioyl]glycine
Basic information
- CAS
6477-65-2- Standard SMILES
CSC(=S)N(C)CC(=O)O- InChIKey
JQLVNODEKPLQMH-UHFFFAOYSA-N- Molecular formula
- C5H9NO2S2
- Average molar mass
- 179.3 g/mol
- Monoisotopic mass
- 179.00747088
Names & identifiers
- Preferred name
- N-Methyl-N-[(methylsulfanyl)carbonothioyl]glycine
- IUPAC
- 2-[methyl(methylsulfanylcarbothioyl)amino]acetic acid
Names & synonyms
6477-65-22-(Methyl((methylthio)carbonothioyl)amino)acetic acidN-Methyl-N-[(methylsulfanyl)carbonothioyl]glycineDTXSID10545199N-methyl-N-((methylthio)carbonothioyl)glycine5-Thia-3-azahexanoic acid, 3-methyl-4-thioxo-{methyl[(methylsulfanyl)carbothioyl]amino}acetic acid
Database identifiers
- CAS
6477-65-2- PubChem CID
- 13620682
- DTXSID
DTXSID10545199
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 149
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Compound notes
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