Phenol, o-(2-thiazolidinyl)-
Basic information
- CAS
31404-06-5- Standard SMILES
Oc1ccccc1C1NCCS1- InChIKey
XTCNCKCBECUEBH-UHFFFAOYSA-N- Molecular formula
- C9H11NOS
- Average molar mass
- 181.26 g/mol
- Monoisotopic mass
- 181.05613515
Names & identifiers
- Preferred name
- Phenol, o-(2-thiazolidinyl)-
- IUPAC
- 2-(1,3-thiazolidin-2-yl)phenol
- English name
- 2-(2-Thiazolidinyl)phenol
- Molecular formula
- C9H11NOS
- Molecular weight
- 181.25
Names & synonyms
31404-06-5Phenol, o-(2-thiazolidinyl)-RefChem:10949362-(1,3-thiazolidin-2-yl)phenol2-(Thiazolidin-2-yl)phenolo-(2-Thiazolidinyl)phenolBRN 0145336starbld0002701Oprea1_483070SCHEMBL8951248SCHEMBL30683722DTXSID40953440
Show more names
2-(2-Thiazolidinyl)phenolPhenol, 2-(2-thiazolidinyl)-
Database identifiers
- CAS
31404-06-5- PubChem CID
- 208013
- DTXSID
DTXSID40953440- Nikkaji
- J86.640G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 75 · 75-78 °C
- Boiling point
- 290.4 · 290.4±35.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 9.57 · 9.57±0.35(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…