4-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
Basic information
- CAS
183668-02-2- Standard SMILES
Nc1ccc(-c2cn3ccsc3n2)cc1- InChIKey
RYXSOPRSCTXCTD-UHFFFAOYSA-N- Molecular formula
- C11H9N3S
- Average molar mass
- 215.28 g/mol
- Monoisotopic mass
- 215.05171847
Names & identifiers
- Preferred name
- 4-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
- IUPAC
- 4-imidazo[2,1-b][1,3]thiazol-6-ylaniline
- English name
- 4-imidazo[2,1-b][1,3]thiazol-6-ylaniline
- Molecular formula
- C11H9N3S
- Molecular weight
- 215.27
Names & synonyms
4-{imidazo[2,1-b][1,3]thiazol-6-yl}aniline4-(Imidazo[2,1-b][1,3]thiazol-6-yl)aniline4-(imidazo(2,1-b)(1,3)thiazol-6-yl)anilineRefChem:516204847-968-8183668-02-24-imidazo[2,1-b][1,3]thiazol-6-ylaniline4-Imidazo[2,1-b]thiazol-6-yl-phenylamine4-(imidazo[2,1-b]thiazol-6-yl)anilineMFCD01624149CHEMBL3764629F1959-0002
Show more names
Benzenamine, 4-imidazo[2,1-b]thiazol-6-yl-
CDS1_004606CBMicro_030270Oprea1_322828DivK1c_005646SCHEMBL5773733DTXSID60358115RYXSOPRSCTXCTD-UHFFFAOYSA-NSMSSF-0044206
Database identifiers
- CAS
183668-02-2- PubChem CID
- 877648
- DTXSID
DTXSID60358115- ChEMBL
CHEMBL3764629- EC Number
- 847-968-8
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 207 · 207~209℃
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 6.06 · 6.06±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261
- 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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 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
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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