5-Chloro-1-methyl-6-sulfanylpyridazin-4(1H)-one
Basic information
- CAS
72039-21-5- Standard SMILES
Cn1ncc(=O)c(Cl)c1S- InChIKey
GLIBYOLJZQRPGK-UHFFFAOYSA-N- Molecular formula
- C5H5ClN2OS
- Average molar mass
- 176.62 g/mol
- Monoisotopic mass
- 175.9811117
Names & identifiers
- Preferred name
- 5-Chloro-1-methyl-6-sulfanylpyridazin-4(1H)-one
- IUPAC
- 5-chloro-1-methyl-6-sulfanylpyridazin-4-one
Names & synonyms
72039-21-5NSC3346545-Chloro-1-methyl-6-sulfanylpyridazin-4(1H)-oneDTXSID40318737NSC-334654
Database identifiers
- CAS
72039-21-5- PubChem CID
- 333475
- DTXSID
DTXSID40318737
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 33.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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