4'-(Methylsulfanyl)-1'H-spiro[cyclohexane-1,2'-quinazoline]
Basic information
- CAS
126501-28-8- Standard SMILES
CSC1=NC2(CCCCC2)Nc2ccccc21- InChIKey
AUHWMZXNYQIGNC-UHFFFAOYSA-N- Molecular formula
- C14H18N2S
- Average molar mass
- 246.37 g/mol
- Monoisotopic mass
- 246.11906976
Names & identifiers
- Preferred name
- 4'-(Methylsulfanyl)-1'H-spiro[cyclohexane-1,2'-quinazoline]
- IUPAC
- 4-methylsulfanylspiro[1H-quinazoline-2,1'-cyclohexane]
Names & synonyms
DTXSID101203595AKOS001965715126501-28-84'-(methylthio)-1'H-spiro[cyclohexane-1,2'-quinazoline]4'-(Methylsulfanyl)-1'H-spiro[cyclohexane-1,2'-quinazoline]4a(2)-(Methylthio)spiro[cyclohexane-1,2a(2)(1a(2)H)-quinazoline]
Database identifiers
- CAS
126501-28-8- PubChem CID
- 14380902
- DTXSID
DTXSID101203595
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…