5,5-Dimethyl-4-thiazolidinecarboxylic acid
Basic information
- CAS
15260-83-0- Standard SMILES
CC1(C)SCNC1C(=O)O- InChIKey
PMQQFSDIECYOQV-UHFFFAOYSA-N- Molecular formula
- C6H11NO2S
- Average molar mass
- 161.22 g/mol
- Monoisotopic mass
- 161.05104977
Overview
5,5-Dimethyl-1,3-thiazolane-4-carboxylic acid is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.
Names & identifiers
- Preferred name
- 5,5-Dimethyl-4-thiazolidinecarboxylic acid
- IUPAC
- 5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
- English name
- 5,5-dimethylthiazolidine-4-carboxylic acid
- Molecular formula
- C6H11NO2S
- Molecular weight
- 161.22
Names & synonyms
15260-83-05,5-Dimethylthiazolidine-4-carboxylic acid5,5-Dimethyl-4-thiazolidinecarboxylic acidRefChem:9129265,5-DTC239-305-05,5-Dimethyl-1,3-thiazolidine-4-carboxylic acid4-Thiazolidinecarboxylic acid, 5,5-dimethyl-4-Thiazolidinecarboxylicacid, 5,5-dimethyl-4-Carboxy-5,5-dimethylthiazolidineMFCD00460687NSC-151747
Show more names
(RS)-4-Carboxy-5,5-dimethylthiazolidine5,5-dimethyl-4-thiazolealkanecarboxylic acid
5,5-Dimethylthiazolidine-4-carboxylicacidThiazolidine-4-carboxylic acid, 5,5-dimethyl-39254-94-9Maybridge3_004308(R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid(S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acidH-beta,beta-Dimethyl-D-Cys-OH;H-beta-Mercapto-D-Val-OHEINECS 239-305-0
Database identifiers
- CAS
15260-83-0、39254-94-9- PubChem CID
- 85822
- DTXSID
DTXSID60902718- ChEBI
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 200 · 200-201 °C (decomp)
- Boiling point
- 317.3 · 317.3±37.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 2.11 · 2.11±0.40(Predicted)
- Appearance
- white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 5,5-Dimethyl-1,3-thiazolane-4-carboxylic acid is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.
Related reactions
5 records
Compound notes
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