Basic information
- CAS
127657-29-8- Standard SMILES
CCOC(=O)N1CSCC1C(=O)O- InChIKey
XBJWOGLKABXFJE-UHFFFAOYSA-N- Molecular formula
- C7H11NO4S
- Average molar mass
- 205.23 g/mol
- Monoisotopic mass
- 205.04087901
Names & identifiers
- Preferred name
- 3-(Ethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
- IUPAC
- 3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
- English name
- 3-Carbethoxythiazolidine-4-carboxylic acid
- Molecular formula
- C7H11NO4S
- Molecular weight
- 205.23
Names & synonyms
127657-29-83-(ethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acidDTXSID90469485RefChem:275495DTXCID80420303822-281-6(Rac)-Telmesteine3-Ethyl (-)-Thiazolidine-3,4-dicarboxylate3-(Ethoxycarbonyl)thiazolidine-4-carboxylic acidMFCD041179213,4-Thiazolidinedicarboxylic Acid 3-Ethyl Ester3-CARBETHOXYTHIAZOLIDINE-4-CARBOXYLIC ACID
Show more names
3-(Ethoxycarbonyl)3-ethoxycarbonyl-13-ETHYL THIAZOLIDINE-3,4-DICARBOXYLATE3-Ethyl (-)-3,4-Thiazolidinedicarboxylate(-)-Carbethoxythiazolidine-4-carboxylic Acid4-Thiazolidinedicarboxylic Acid 3-Ethyl Ester3-ETHOXYCARBONYLTHIAZOLIDINE-4-CARBOXYLIC ACIDTHIAZOLIDINE-3,4-DICARBOXYLIC ACID 3-ETHYL ESTER
3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid3,4-Thiazolidinedicarboxylic acid, 3-ethyl ester3-(ETHOXYCARBONYL)-1,3-THIAZOLIDINE-4-CARBOXYLATE(-)-3-Carbethoxythiazolidine-4-carboxylic Acidorb1309174SCHEMBL1425417CHEMBL4303350EBC-14668
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 98 °C · 98 °C
- Boiling point
- 386.2 · 386.2±42.0 °C(Predicted)
- Density
- 1.409 · 1.409±0.06 g/cm3(Predicted)
- refractive index
- -120 ° · -120 ° (C=1, H2O)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 250 mg/mL · DMSO: ≥ 250 mg/mL (1218.15 mM)
- form
- powder to crystal
- pka
- 3.53 · 3.53±0.20(Predicted)
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- hs_code
- 2934.10.9000
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
Uses3,4-Thiazolidinedicarboxylic Acid 3-Ethyl Ester is an intermediate in the synthesis of N-Carbethoxy-4-thiazolidinecarboxylic acid useful for treatment of chronic and acute affections of the respiratory system.
Uses3-Carbethoxythiazolidine-4-Carboxylic Acid is an intermediate in the synthesis of N-Carbethoxy-4-thiazolidinecarboxylic acid useful for treatment of chronic and acute affections of the respiratory system.
Suppliers32 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
1 records
Compound notes
Loading…