Guanidine, N-cyano-N'-methyl-N''-(2-(((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)thio)ethyl)-
Basic information
- CAS
100650-69-9- Standard SMILES
CN=C(NC#N)NCCSCC1OCCc2[nH]cnc21- InChIKey
HHUUPULKLSRLTN-UHFFFAOYSA-N- Molecular formula
- C12H18N6OS
- Average molar mass
- 294.38 g/mol
- Monoisotopic mass
- 294.12628039
Names & identifiers
- Preferred name
- Guanidine, N-cyano-N'-methyl-N''-(2-(((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)thio)ethyl)-
- IUPAC
- 1-cyano-2-methyl-3-[2-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethylsulfanyl)ethyl]guanidine
Names & synonyms
100650-69-9Guanidine, N-cyano-N'-methyl-N''-(2-(((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)thio)ethyl)-RefChem:1086312
Database identifiers
- CAS
100650-69-9- PubChem CID
- 3063385
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…