Basic information
- CAS
76706-68-8- Standard SMILES
COC(=O)c1csc(-c2csc(C(C)=O)n2)n1- InChIKey
PFGGIYDQUWLLQM-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3S2
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 267.99763447
Names & identifiers
- Preferred name
- Methyl 2-(2-acetyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate
- IUPAC
- methyl 2-(2-acetyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate
Names & synonyms
76706-68-8DTXSID201245217Methyl 2'-acetyl[2,4'-bi-1,3-thiazole]-4-carboxylateMethyl 2a(2)-acetyl[2,4a(2)-bithiazole]-4-carboxylate
Database identifiers
- CAS
76706-68-8- PubChem CID
- 21787331
- DTXSID
DTXSID201245217- Nikkaji
- J2.503.337J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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