Basic information
- CAS
83546-47-8- Standard SMILES
N=c1nc([NH+]2CCC3(CC2)SCCS3)cc(N)n1O.[Cl-]- InChIKey
FNBAFXCMPBYMLN-UHFFFAOYSA-N- Molecular formula
- C11H18ClN5OS2
- Average molar mass
- 335.9 g/mol
- Monoisotopic mass
- 335.0641303
Names & identifiers
- Preferred name
- 6-Amino-4-(1,4-dithia-8-azaspiro(4.5)decan-8-yl)-2-iminopyrimidin-1(2H)-ol--hydrogen chloride (1/1)
- IUPAC
- 6-(1,4-dithia-8-azoniaspiro[4.5]decan-8-yl)-3-hydroxy-2-iminopyrimidin-4-amine chloride
Names & synonyms
83546-47-8DTXSID0010035566-Amino-4-(1,4-dithia-8-azaspiro(4.5)decan-8-yl)-2-iminopyrimidin-1(2H)-ol--hydrogen chloride (1/1)RefChem:1073792DTXCID3014304671,4-Dithia-8-azaspiro(4.5)decane, 8-(2,6-diamino-4-pyrimidinyl)-, 1'-oxide, hydrochloride8-(2,6-Diamino-4-pyrimidinyl)-1,4-dithia-8-azaspiro(4.5)decane 1'-oxide hydrochloride
Database identifiers
- CAS
83546-47-8- PubChem CID
- 55045
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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