Ethanimidothioic acid, N-((((((((2,4-dimethylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester
Basic information
- CAS
104946-80-7- Standard SMILES
CS/C(C)=N\OC(=O)N(C)SN(C)C=Nc1ccc(C)cc1C- InChIKey
WCZZAEFYGANUSO-LSGDEUTGSA-N- Molecular formula
- C15H22N4O2S2
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.1184183
Names & identifiers
- Preferred name
- Ethanimidothioic acid, N-((((((((2,4-dimethylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester
- IUPAC
- methyl (1Z)-N-[[(2,4-dimethylphenyl)iminomethyl-methylamino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Names & synonyms
104946-80-7Ethanimidothioic acid, N-((((((((2,4-dimethylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester
Database identifiers
- CAS
104946-80-7- PubChem CID
- 6510046
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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