6-Phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
Basic information
- CAS
77628-52-5- Standard SMILES
O=C(O)c1c(-c2ccccc2)nc2sccn12- InChIKey
WWTNFHARVKWUOW-UHFFFAOYSA-N- Molecular formula
- C12H8N2O2S
- Average molar mass
- 244.27 g/mol
- Monoisotopic mass
- 244.03064868
Names & identifiers
- Preferred name
- 6-Phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
- IUPAC
- 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
- English name
- 6-phenyl-Imidazo[2,1-b]thiazole-5-carboxylic acid
- Molecular formula
- C12H8N2O2S
- Molecular weight
- 244.27
Names & synonyms
77628-52-56-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid6-Phenylimidazo[2,1-b]thiazole-5-carboxylic acidMFCD06669919NSC315238Imidazo[2,1-b]thiazole-5-carboxylic acid, 6-phenyl-SCHEMBL22761661DTXSID00317403AKOS000345359MB04010NSC 315238NSC-315238
Show more names
DB-075354CS-04556446-Phenylimidazo[2,1-b]thiazole-5-carboxylicacidEN300-74417196-PHENYL-IMIDAZO[2,1-B]THIAZOLE-5-CARBOXYLIC ACID
Database identifiers
- CAS
77628-52-5- PubChem CID
- 329978
- DTXSID
DTXSID00317403- Nikkaji
- J277.614F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Melting point
- 155 · 155-156 °C (decomp)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- -0.97 · -0.97±0.41(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- 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.
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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