Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate
Basic information
- CAS
71466-79-0- Standard SMILES
COC(=O)n1sc(SC)nc1=N- InChIKey
MNXUQBQUGXKCPW-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2S2
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 204.99796882
Names & identifiers
- Preferred name
- Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate
- IUPAC
- methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate
Names & synonyms
71466-79-0NSC359877methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylateDTXSID30320465NSC-359877Methyl 3-imino-5-(methylsulfanyl)-1,2,4-thiadiazole-2(3H)-carboxylate
Database identifiers
- CAS
71466-79-0- PubChem CID
- 338266
- DTXSID
DTXSID30320465
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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