2-Oxazoline, 2-amino-5-((3,4-dichlorophenyl)thiomethyl)-
Basic information
- CAS
50510-12-8- Standard SMILES
NC1=NCC(CSc2ccc(Cl)c(Cl)c2)O1- InChIKey
KOKSXPBEMRYMNU-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2N2OS
- Average molar mass
- 277.17 g/mol
- Monoisotopic mass
- 275.9890895
Names & identifiers
- Preferred name
- 2-Oxazoline, 2-amino-5-((3,4-dichlorophenyl)thiomethyl)-
- IUPAC
- 5-[(3,4-dichlorophenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine
- English name
- 2-Amino-5-[(3,4-dichlorophenyl)thiomethyl]-2-oxazoline
- Molecular formula
- C10H10Cl2N2OS
- Molecular weight
- 277.17
Names & synonyms
50510-12-82-Oxazoline, 2-amino-5-((3,4-dichlorophenyl)thiomethyl)-RefChem:1064029NSC 303610BRN 0992339NSC3036102-Oxazolamine, 4,5-dihydro-5-((3,4-dichlorophenyl)thiomethyl)-5-[(3,4-dichlorophenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine2-Amino-5-[(3,4-dichlorophenyl)thiomethyl]-2-oxazolineDTXSID1013850742-Oxazolamine, 5-(((3,4-dichlorophenyl)thio)methyl)-4,5-dihydro-NSC-303610
Show more names
2-Oxazolamine, 5-[[(3,4-dichlorophenyl)thio]methyl]-4,5-dihydro-
DB-2607212-Amino-5-[(3,4-dichlorophenyl)thiomethyl ]-2-oxazoline2-Oxazolamine,4-dichlorophenyl)thio]methyl]-4,5-dihydro-
Database identifiers
- CAS
50510-12-8- PubChem CID
- 99987
- DTXSID
DTXSID101385074- Nikkaji
- J78.685C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 415.3 · 415.3±55.0 °C(Predicted)
- Density
- 1.3489 · 1.3489 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 8.49 · 8.49±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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