6-Phenylimidazo(2,1-b)(1,3)thiazole-5-carbaldehyde
Basic information
- CAS
74630-73-2- Standard SMILES
O=Cc1c(-c2ccccc2)nc2sccn12- InChIKey
RRHHDLZBYCPJAW-UHFFFAOYSA-N- Molecular formula
- C12H8N2OS
- Average molar mass
- 228.27 g/mol
- Monoisotopic mass
- 228.03573406
Names & identifiers
- Preferred name
- 6-Phenylimidazo(2,1-b)(1,3)thiazole-5-carbaldehyde
- IUPAC
- 6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
- English name
- 6-Phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
- Molecular formula
- C12H8N2OS
- Molecular weight
- 228.27
Names & synonyms
74630-73-26-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehydeDTXSID503173926-Phenylimidazo(2,1-b)(1,3)thiazole-5-carbaldehydeRefChem:1074134DTXCID302685156-Phenylimidazo[2,1-b]thiazole-5-carbaldehyde6-Phenyl-imidazo[2,1-b]thiazole-5-carbaldehydeMFCD00139592F1996-00246-phenylimidazo[2,1-b]1,3-thiazoline-5-carbaldehydeimidazo[2,1-b]thiazole-5-carboxaldehyde, 6-phenyl-
Show more names
AURORA KA-4217BUTTPARK 2\01-49IFLAB-BB F1996-00246-phenylimidazo[2,3-b]thiazole-5-carbaldehyde6-phenyl-5-imidazo[2,3-b]thiazolecarboxaldehyde6-phenyl-5-imidazo[2,1-b]thiazolecarboxaldehyde6-phenyl- Imidazo[2,1-b]thiazole-5-carboxaldehyde6-phenylimidazo[2,3-b][1,3]thiazole-5-carbaldehyde
NSC315207SCHEMBL4767114RRHHDLZBYCPJAW-UHFFFAOYSA-NSMSSF-0044348ALBB-006783SBB013073STK500438AKOS000121662
Database identifiers
- CAS
74630-73-2- PubChem CID
- 329948
- DTXSID
DTXSID50317392- EC Number
- 184-476-6
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 130 · 130-132°C
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 3.12 · 3.12±0.40(Predicted)
- CAS DataBase Reference
- 74630 · 74630-73-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- HazardClass
- IRRITANT
- 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, P317, 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_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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