6-Methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Basic information
- CAS
75001-31-9- Standard SMILES
Cc1nc2sccn2c1C=O- InChIKey
MCWDDAAVFNMHKO-UHFFFAOYSA-N- Molecular formula
- C7H6N2OS
- Average molar mass
- 166.2 g/mol
- Monoisotopic mass
- 166.02008399
Names & identifiers
- Preferred name
- 6-Methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
- IUPAC
- 6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
- English name
- 6-METHYL-IMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE
- Molecular formula
- C7H6N2OS
- Molecular weight
- 166.2
Names & synonyms
6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehydeDTXSID903173916-methylimidazo(2,1-b)(1,3)thiazole-5-carbaldehydeRefChem:543997DTXCID70268514878-112-175001-31-96-Methylimidazo[2,1-b]thiazole-5-carbaldehyde6-Methyl-imidazo[2,1-b]thiazole-5-carbaldehydeMFCD022531726-Methylimidazo[2,1-b]thiazole-5-carboxaldehydeImidazo[2,1-b]thiazole-5-carboxaldehyde, 6-methyl-
Show more names
TIMTEC-BB SBB010477IFLAB-BB F2124-06745-ForMyl-6-MethyliMidazo[2,1-b]thiazole6-methylimidazo[2,3-b]thiazole-5-carbaldehyde6-Methyl-imidazo[2,1-b]thiazol-5-carbaldehyde6-methyl-5-imidazo[2,3-b]thiazolecarboxaldehyde6-methyl-5-imidazo[2,1-b]thiazolecarboxaldehyde
NSC 315206F2124-06746-methylimidazo[2,1-b]1,3-thiazoline-5-carbaldehydeNSC315206SCHEMBL6209901SCHEMBL6209906SMSSF-0016897ALBB-020891
Database identifiers
- CAS
75001-31-9- PubChem CID
- 329947
- DTXSID
DTXSID90317391- EC Number
- 878-112-1
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 140 · 140-142 °C(Solv: ligroine (8032-32-4))
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.96 · 4.96±0.40(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H335-H302-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses6-MethyliMidazo[2,1-b]thiazole-5-carboxaldehyde is used in the preparation of dihydropyrimidine derivatives as non-nucleoside reverse transcriptase inhibitors for treating HIV infection.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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