2-[(4,6-Diamino-1,3,5-triazin-2-yl)sulfanyl]ethanol
Basic information
- CAS
41817-87-2- Standard SMILES
Nc1nc(N)nc(SCCO)n1- InChIKey
JWFPOAQPCRIGMH-UHFFFAOYSA-N- Molecular formula
- C5H9N5OS
- Average molar mass
- 187.23 g/mol
- Monoisotopic mass
- 187.0527811
Names & identifiers
- Preferred name
- 2-[(4,6-Diamino-1,3,5-triazin-2-yl)sulfanyl]ethanol
- IUPAC
- 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]ethanol
Names & synonyms
41817-87-22-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]ethanolNSC4481DTXSID10277847NSC-4481Ethanol,6-diamino-s-triazin-4-yl)thio]-Ethanol,6-diamino-1,3,5-triazin-2-yl)thio]-2-[(4,6-Diamino-1,3,5-triazin-2-yl)sulfanyl]ethan-1-ol
Database identifiers
- CAS
41817-87-2- PubChem CID
- 220935
- DTXSID
DTXSID10277847
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 127
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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