4-Aminothiane-4-carboxylic acid
Basic information
- CAS
39124-16-8- Standard SMILES
NC1(C(=O)O)CCSCC1- InChIKey
WIPRZHGCPZSPLJ-UHFFFAOYSA-N- Molecular formula
- C6H11NO2S
- Average molar mass
- 161.22 g/mol
- Monoisotopic mass
- 161.05104977
Overview
4-aminotetrahydro-2H-thiopyran-4-carboxylic acid is a L-alpha-amino acid.
Names & identifiers
- Preferred name
- 4-Aminothiane-4-carboxylic acid
- IUPAC
- 4-aminothiane-4-carboxylic acid
- English name
- 4-Aminotetrahydrothiopyran-4-carboxylic acid
- Molecular formula
- C6H11NO2S
- Molecular weight
- 161.22
Names & synonyms
4-aminothiane-4-carboxylic acidDTXSID70959930RefChem:518315DTXCID601387801853-386-539124-16-84-Aminotetrahydro-2H-thiopyran-4-carboxylic acid4-Aminotetrahydrothiopyran-4-carboxylic acidMFCD066561132H-Thiopyran-4-carboxylicacid, 4-aminotetrahydro-2H-Thiopyran-4-carboxylic acid, 4-aminotetrahydro-CHEMBL40198
Show more names
4-aminothiane-4-carboxylic acid - [A86649]
NSC-3500244-amino-4-carboxytetrahydrothiopyranNSC3500244-Aminotetrahydro-2H-thiopyran-4-carboxylicacid4-Aminothiane-4-carboxylicacid334F9YQ9UPSCHEMBL1768745CHEBI:167728
Database identifiers
- CAS
39124-16-8- PubChem CID
- 336313
- DTXSID
DTXSID70959930- ChEMBL
CHEMBL40198- ChEBI
CHEBI:167728- UNII
- 334F9YQ9UP
- EC Number
- 853-386-5
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 334 F9YQ9UP · 334F9YQ9UP
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Additional notes
DefinitionChEBI: 4-aminotetrahydro-2H-thiopyran-4-carboxylic acid is a L-alpha-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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