4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone
Basic information
- CAS
72039-20-4- Standard SMILES
CCSc1c(S)cnn(C)c1=O- InChIKey
BAFJJQOVSYLDOO-UHFFFAOYSA-N- Molecular formula
- C7H10N2OS2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.02345529
Names & identifiers
- Preferred name
- 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone
- IUPAC
- 4-ethylsulfanyl-2-methyl-5-sulfanylpyridazin-3-one
Names & synonyms
72039-20-44-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinoneUB21WYI9LEUNII-UB21WYI9LENSC 334655NSC-334655DTXSID102223523(2H)-PYRIDAZINONE, 4-(ETHYLTHIO)-5-MERCAPTO-2-METHYL-RefChem:97451DTXCID10144843NSC3346554-(Ethylthio)-5-mercapto-2-methylpyridazin-3(2H)-one
Show more names
4-ethylsulfanyl-2-methyl-5-sulfanyl-pyridazin-3-one4-(Ethylsulfanyl)-2-methyl-5-sulfanylpyridazin-3(2H)-one
Database identifiers
- CAS
72039-20-4- PubChem CID
- 333476
- DTXSID
DTXSID10222352- UNII
- UB21WYI9LE
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 260
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Related reactions
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Compound notes
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