Aniline, 3-(methylthio)-N-(2-oxazolin-2-yl)-
Basic information
- CAS
102583-77-7- Standard SMILES
CSc1cccc(NC2=NCCO2)c1- InChIKey
PGERESVFZXINFY-UHFFFAOYSA-N- Molecular formula
- C10H12N2OS
- Average molar mass
- 208.28 g/mol
- Monoisotopic mass
- 208.06703418
Names & identifiers
- Preferred name
- Aniline, 3-(methylthio)-N-(2-oxazolin-2-yl)-
- IUPAC
- N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
Names & synonyms
2-(m-Methylthioanilino)-2-oxazolineANILINE, 3-(METHYLTHIO)-N-(2-OXAZOLIN-2-YL)-4,5-Dihydro-2-(m-(methylthio)anilino)oxazole102583-77-7DTXSID30145296RefChem:319589DTXCID8067787NSC160033n-[3-(methylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amineNSC-160033
Database identifiers
- CAS
102583-77-7- PubChem CID
- 59559
- DTXSID
DTXSID30145296
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
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Compound notes
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