2-Anilino-5-thiazolinone
Basic information
- CAS
55620-29-6- Standard SMILES
O=C1CN=C(Nc2ccccc2)S1- InChIKey
HRTNVZOWEFVIGJ-UHFFFAOYSA-N- Molecular formula
- C9H8N2OS
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.03573406
Names & identifiers
- Preferred name
- 2-Anilino-5-thiazolinone
- IUPAC
- 2-anilino-4H-1,3-thiazol-5-one
- English name
- 2-anilino-5-thiazolinone
- Molecular formula
- C9H8N2OS
- Molecular weight
- 192.24
Names & synonyms
2-Anilino-5-thiazolinoneAnilinothiazolinone55620-29-62-AN-5-THDTXSID802041605(2H)-Thiazolone, 2-(phenylamino)-RefChem:85419DTXCID801266512-anilino-4H-1,3-thiazol-5-one2-anilino-1,3-thiazol-5(4h)-oneSCHEMBL67083985(4H)-Thiazolone, 2-(phenylamino)-
Database identifiers
- CAS
55620-29-6- PubChem CID
- 194002
- DTXSID
DTXSID80204160
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 321 · 321.0±25.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 4.13 · 4.13±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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