5-(pyridin-3-yl)-6H-1,3,4-thiadiazin-2-amine
Basic information
- CAS
139420-62-5- Standard SMILES
NC1=NN=C(c2cccnc2)CS1- InChIKey
NCDFLSRVKXKNHL-UHFFFAOYSA-N- Molecular formula
- C8H8N4S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.04696745
Names & identifiers
- Preferred name
- 5-(pyridin-3-yl)-6H-1,3,4-thiadiazin-2-amine
- IUPAC
- 5-pyridin-3-yl-6H-1,3,4-thiadiazin-2-amine
- English name
- 5-Pyridin-3-yl-6H-[1,3,4]thiadiazin-2-ylamine
- Molecular formula
- C8H8N4S
- Molecular weight
- 192.24
Names & synonyms
139420-62-55-(pyridin-3-yl)-6H-1,3,4-thiadiazin-2-amine5-pyridin-3-yl-6H-1,3,4-thiadiazin-2-amine5-PYRIDIN-3-YL-6H-[1,3,4]THIADIAZIN-2-YLAMINEDTXSID80402306STK370543AKOS0054461306H-1,3,4-Thiadiazin-2-amine, 5-(3-pyridinyl)-
Database identifiers
- CAS
139420-62-5- PubChem CID
- 4356317
- DTXSID
DTXSID80402306
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 380.7 · 380.7±34.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 6.28 · 6.28±0.20(Predicted)
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Compound notes
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