3-Methoxy-4-[7-dimethylaminohept-5-ynylamino]-1,2,5-thiadiazole-1-oxide
Basic information
- Standard SMILES
COC1=NS(=O)N=C1NCCCCC#CCN(C)C- InChIKey
IVBHQBLZQKFDBH-UHFFFAOYSA-N- Molecular formula
- C12H20N4O2S
- Average molar mass
- 284.38 g/mol
- Monoisotopic mass
- 284.13069707
Names & identifiers
- Preferred name
- 3-Methoxy-4-[7-dimethylaminohept-5-ynylamino]-1,2,5-thiadiazole-1-oxide
- IUPAC
- N'-(4-methoxy-1-oxo-1,2,5-thiadiazol-3-yl)-N,N-dimethylhept-2-yne-1,7-diamine
Names & synonyms
IVBHQBLZQKFDBH-UHFFFAOYSA-N3-methoxy-4-[7-dimethylaminohept-5-ynylamino]-1,2,5-thiadiazole-1-oxide
Database identifiers
- PubChem CID
- 20147657
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 445
Related reactions
2 records
Compound notes
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