Basic information
- CAS
77528-64-4- Standard SMILES
CCOC(=O)C1CCc2sc(C)nc2C1- InChIKey
KLYDWMHKPCZUCD-UHFFFAOYSA-N- Molecular formula
- C11H15NO2S
- Average molar mass
- 225.31 g/mol
- Monoisotopic mass
- 225.08234972
Names & identifiers
- Preferred name
- Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate
- IUPAC
- ethyl 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxylate
- English name
- ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate
- Molecular formula
- C11H15NO2S
- Molecular weight
- 225.3073
Names & synonyms
77528-64-4EINECS 278-710-7Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylateethyl 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxylateDTXSID10998727DB-117640NS000585532-Methyl-5-ethoxycarbonyl-4,5,6,7-tetrahydro-benzo[d]thiazole4,5,6,7-Tetrahydro-2-methyl-5-benzothiazolecarboxylic acid ethyl ester
Database identifiers
- CAS
77528-64-4- PubChem CID
- 3018725
- DTXSID
DTXSID10998727- EC Number
- 278-710-7
- Nikkaji
- J309.405G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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