2-Aminothiazole
Basic information
- CAS
96-50-4- Standard SMILES
Nc1nccs1- InChIKey
RAIPHJJURHTUIC-UHFFFAOYSA-N- Molecular formula
- C3H4N2S
- Average molar mass
- 100.14 g/mol
- Monoisotopic mass
- 100.00951931
Overview
2-aminothiazole appears as light brown crystals or brown granular solid. (NTP, 1992)
Names & identifiers
- Preferred name
- 2-Aminothiazole
- IUPAC
- 1,3-thiazol-2-amine
- English name
- 2-Aminothiazole
- Molecular formula
- C3H4N2S
- Molecular weight
- 100.14
Names & synonyms
2-AMINOTHIAZOLEaminothiazole96-50-42-ThiazolamineAbadole2-ThiazolylamineBasedolAbadol2-ThiazylamineAminothiazolAminotiazol4-Thiazolin-2-onimine
Show more names
1,3-Thiazol-2-amine2-Amino-1,3-thiazolecp1585
AminothiazolumThiazole, 2-amino-AminotiazoloUSAF EK-P-5501RP 2921DTXSID5024508NSC-19005K8WKN668K
Database identifiers
- CAS
96-50-4- PubChem CID
- 2155
- DTXSID
DTXSID5024508- ChEMBL
CHEMBL344760- ChEBI
CHEBI:40782- UNII
- 5K8WKN668K
- EC Number
- 202-511-6
- Nikkaji
- J3.972A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 48.1
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP0.38
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Boiling PointDecomposes (NTP, 1992)
Melting Point194 °F (NTP, 1992)
Physical Description2-aminothiazole appears as light brown crystals or brown granular solid. (NTP, 1992)
Collision Cross Section
117.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
141.48 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Autoignition Temperature212 °F after 3.5 hours (NTP, 1992)
Physicochemical properties
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, P304+P340, P305+P351+P338, P319, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 87 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Thiazolamine
REACH registered substance: Aminothiazole (EC: 202-511-6)
2-Aminothiazole: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include nausea, headache and weakness. It may also cause irritation.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile2-AMINOTHIAZOLE reacts violently when nitrated with nitric or nitric-sulfuric acids. It is also incompatible with strong oxidizing agents, strong acids, acid chlorides and acid anhydrides. (NTP, 1992)
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Thiazolamine: ACTIVE
Applications
Usesantithyroid agent
UsesUsually used in the synthesis of 2-aminothiazole-modified silica gel，and aslo used in Ulmann coupling with 2-chlorobenzoic acids mediated by ultrasonic irradiation.
Uses2-Aminothiazole is a heterocyclic amine and is the beginning reagent for the synthesis of many pharmaceutical and agricultural related compounds.
General DescriptionLight brown crystals or brown granular solid.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1,965 records
Compound notes
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