2,4,6-Trinitrophenol-4-{[(2-methylphenyl)sulfanyl]methyl}morpholine(1:1)
Basic information
- CAS
7355-40-0- Standard SMILES
Cc1ccccc1SCN1CCOCC1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
GSTQNQLWTICJNF-UHFFFAOYSA-N- Molecular formula
- C18H20N4O8S
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 452.10018478
Names & identifiers
- Preferred name
- 2,4,6-Trinitrophenol-4-{[(2-methylphenyl)sulfanyl]methyl}morpholine(1:1)
- IUPAC
- 4-[(2-methylphenyl)sulfanylmethyl]morpholine;2,4,6-trinitrophenol
Names & synonyms
7355-40-0NSC579312,4,6-trinitrophenol- 4-{[(2-methylphenyl)sulfanyl]methyl}morpholine(1:1)DTXSID00288866NSC-57931DS-0012944-[(2-methylphenyl)sulfanylmethyl]morpholine2,4,6-Trinitrophenol--4-{[(2-methylphenyl)sulfanyl]methyl}morpholine (1/1)
Database identifiers
- CAS
7355-40-0- PubChem CID
- 245706
- DTXSID
DTXSID00288866
Properties
Computed structural properties
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…