2-Imino-4-oxythiazolyl-5-acetic acid
Basic information
- CAS
33176-41-9- Standard SMILES
NC1=NC(=O)C(CC(=O)O)S1- InChIKey
IFUXBSJTQXUMSX-UHFFFAOYSA-N- Molecular formula
- C5H6N2O3S
- Average molar mass
- 174.18 g/mol
- Monoisotopic mass
- 174.00991323
Names & identifiers
- Preferred name
- 2-Imino-4-oxythiazolyl-5-acetic acid
- IUPAC
- 2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetic acid
- English name
- 2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetic acid
- Molecular formula
- C5H6N2O3S
- Molecular weight
- 174.18
Names & synonyms
33176-41-9(2-Imino-4-oxo-1,3-thiazolidin-5-yl)acetic acid(2-Amino-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetic acid2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetic acid5-thiazolidineacetic acid, 2-imino-4-oxo-2-Thiazoline-5-acetic acid, 2-amino-4-oxo-2-(2-amino-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetic acid2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetic acidJ2MUW96L2ZNSC 43634NSC-43634NSC-57872
Show more names
RMA-4175Acetic acid, (5-pseudothiohydantoinyl)-5-Thiazoleacetic acid, 2-amino-4,5-dihyd2-(2-amino-4-oxo-5-thiazolyl)acetic acid2-(2-amino-4-oxo-thiazol-5-yl)acetic acid2-(2-amino-4-keto-thiazol-5-yl)acetic acid2-(2-imino-4-oxothiazolidin-5-yl)acetic acid
2-Imino-4-oxythiazolyl-5-acetic acid5-Thiazoleacetic acid, 2-amino-4,5-dihydro-4-oxo-2-(2-imino-4-oxo-thiazolidin-5-yl)acetic acid2-amino-4,5-dihydro-4-oxo-5-Thiazoleacetic acid5-(CARBOXYMETHYL)-2-IMINO-4-THIAZOLIDINONERefChem:473622DTXCID201011888981-723-7
Database identifiers
- CAS
33176-41-9- PubChem CID
- 238964
- DTXSID
DTXSID90873664- UNII
- J2MUW96L2Z
- EC Number
- 981-723-7
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 438.1 · 438.1±37.0 °C(Predicted)
- Density
- 1.88 · 1.88±0.1 g/cm3(Predicted)
- Melting point
- 235 · 235-237 °C
- pka
- 3.81 · 3.81±0.10(Predicted)
- FDA UNII
- 2 MUW96L2Z · J2MUW96L2Z
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2934100090 · 2934100090
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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