3-Pyridazinethiol, 6-amino-
Basic information
- CAS
5788-46-5- Standard SMILES
Nc1ccc(=S)[nH]n1- InChIKey
TYYPBSNYNAWEOC-UHFFFAOYSA-N- Molecular formula
- C4H5N3S
- Average molar mass
- 127.17 g/mol
- Monoisotopic mass
- 127.02041835
Names & identifiers
- Preferred name
- 3-Pyridazinethiol, 6-amino-
- IUPAC
- 3-amino-1H-pyridazine-6-thione
- English name
- 6-Aminopyridazine-3(2H)-thione
- Molecular formula
- C4H5N3S
- Molecular weight
- 127.17
Names & synonyms
5788-46-53-Pyridazinethiol, 6-amino-RefChem:10685796-Amino-3-pyridazinethiol3-amino-6-mercaptopyridazineSCHEMBL5656514DTXSID30973475pyridazine, 3-amino-6-mercapto-TYYPBSNYNAWEOC-UHFFFAOYSA-NAKOS0063413466-Imino-1,6-dihydropyridazine-3-thiol6-Aminopyridazine-3(2H)-thione
Show more names
3(2H)-Pyridazinethione, 6-amino-
Database identifiers
- CAS
5788-46-5- PubChem CID
- 3034166
- DTXSID
DTXSID30973475- Nikkaji
- J51.265F
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 215 · 215-217 °C (decomp)
- Boiling point
- 254.2 · 254.2±23.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 8.12 · 8.12±0.40(Predicted)
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Compound notes
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