Basic information
- CAS
75808-94-5- Standard SMILES
Cc1cccc(C2NCCS2)c1- InChIKey
XGRWDOHURTVHMY-UHFFFAOYSA-N- Molecular formula
- C10H13NS
- Average molar mass
- 179.28 g/mol
- Monoisotopic mass
- 179.07687059
Names & identifiers
- Preferred name
- NoName_3176
- IUPAC
- 2-(3-methylphenyl)-1,3-thiazolidine
- English name
- 2-(3-Methylphenyl)thiazolidine, 97%
- Molecular formula
- C10H13NS
- Molecular weight
- 179.28
Names & synonyms
NoName_3176RefChem:1092512DTXSID60902637DTXCID0013308142-(m-Tolyl)thiazolidine2-(3-methylphenyl)-1,3-thiazolidine75808-94-5Thiazolidine, 2-(m-tolyl)-(Methyl-3 phenyl)-2 thiazolidine [French]2-(3-Methylphenyl)thiazolidine(Methyl-3 phenyl)-2 thiazolidinestarbld0006199
Show more names
Thiazolidine, 2-(3-methylphenyl)-2-(3-Methylphenyl)thiazolidine, 97%
Oprea1_870572SCHEMBL11470095AKOS011421312AL-182/11625017F8882-8349
Database identifiers
- CAS
75808-94-5- PubChem CID
- 3058932
- Nikkaji
- J495.750D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 40 °C · <40 °C
- Boiling point
- 315.3 · 315.3±30.0 °C(Predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- pka
- 8.32 · 8.32±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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