Basic information
- CAS
76587-66-1- Standard SMILES
CC(C)(C)OC(=O)N1CSCC1C(=O)O- InChIKey
FJWNZTPXVSWUKF-UHFFFAOYSA-N- Molecular formula
- C9H15NO4S
- Average molar mass
- 233.29 g/mol
- Monoisotopic mass
- 233.07217913
Names & identifiers
- Preferred name
- 3-(1,1-Dimethylethyl) 3,4-thiazolidinedicarboxylate
- IUPAC
- 3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
- English name
- 3-(tert-butoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
- Molecular formula
- C9H15NO4S
- Molecular weight
- 233.28
Names & synonyms
76587-66-13-[(tert-butoxy)carbonyl]-1,3-thiazolidine-4-carboxylic acidDTXSID9012226863-(1,1-Dimethylethyl) 3,4-thiazolidinedicarboxylate3-((tert-butoxy)carbonyl)-1,3-thiazolidine-4-carboxylic acidRefChem:489169DTXCID40893190858-474-73-(tert-butoxycarbonyl)thiazolidine-4-carboxylic acid3-(tert-butoxycarbonyl)-1,3-thiazolidine-4-carboxylic acidBoc-L-thiaprolineBOC-D-THIAPROLINE
Show more names
3-Boc-thiazolidine-4-carboxylic AcidN-Boc-RS-4-Thiazolidinecarboxylic acid3,4-Thiazolidinedicarboxylic acid, 3-(1,1-dimethylethyl) ester
n-boc-thiazolidine-4-carboxylic acidMFCD056644913-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid3-tert-butoxycarbonylthiazolidine-4-carboxylic acidBoc-D-Thz-OH;Boc-D-thioprolineMaybridge3_006165SCHEMBL202301FJWNZTPXVSWUKF-UHFFFAOYSA-N
Database identifiers
- CAS
76587-66-1
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 385.3 · 385.3±42.0 °C(Predicted)
- Density
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- pka
- 3.53 · 3.53±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers10 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
常州捷展化工技术有限公司15861130028 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
常州捷展化工技术有限公司15861130028 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
常州欣特科化工有限公司519-88298820 15861130028 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
Related reactions
6 records
Compound notes
Loading…