Basic information
- CAS
31404-07-6- Standard SMILES
Oc1ccc(C2NCCS2)cc1- InChIKey
DYHNVKKDCQGROL-UHFFFAOYSA-N- Molecular formula
- C9H11NOS
- Average molar mass
- 181.26 g/mol
- Monoisotopic mass
- 181.05613515
Names & identifiers
- Preferred name
- NoName_3188
- IUPAC
- 4-(1,3-thiazolidin-2-yl)phenol
- English name
- 4-(2-Thiazolidinyl)phenol
- Molecular formula
- C9H11NOS
- Molecular weight
- 181.25
Names & synonyms
NoName_3188RefChem:1092514DTXSID70902648DTXCID201330822p-(2-Thiazolidinyl)phenol4-(thiazolidin-2-yl)phenol31404-07-64-(1,3-thiazolidin-2-yl)phenolPhenol, p-(2-thiazolidinyl)-SCHEMBL12471558AKOS0114202934-(2-Thiazolidinyl)phenol
Show more names
Phenol, 4-(2-thiazolidinyl)-
Database identifiers
- CAS
31404-07-6- PubChem CID
- 208014
- Nikkaji
- J86.641E
Properties
Computed structural properties
- XLogP
- 1.1
- 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
- 145
Physicochemical properties
- Boiling point
- 372 · 372.0±42.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 9.71 · 9.71±0.30(Predicted)
Chemistry & industry
Suppliers5 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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