Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate
Basic information
- CAS
73824-26-7- Standard SMILES
COC(=O)CSc1nc2ccccc2o1- InChIKey
ZBEDJPDEINGEHM-UHFFFAOYSA-N- Molecular formula
- C10H9NO3S
- Average molar mass
- 223.25 g/mol
- Monoisotopic mass
- 223.03031432
Names & identifiers
- Preferred name
- Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate
- IUPAC
- methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
Names & synonyms
73824-26-7methyl (1,3-benzoxazol-2-ylsulfanyl)acetateDTXSID50358508RefChem:352858DTXCID80309563Acetic acid, (2-benzoxazolylthio)-, methyl estermethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetateHMS1766A02MLS000097964CHEMBL1716031SCHEMBL10760459HMS2501C08
Show more names
STK795748AKOS001018377SMR000060606methyl 2-(benzo[d]oxazol-2-ylthio)acetateMethyl [(1,3-benzoxazol-2-yl)sulfanyl]acetateAI-204/31684007
Database identifiers
- CAS
73824-26-7- PubChem CID
- 900993
- DTXSID
DTXSID50358508- ChEMBL
CHEMBL1716031- Nikkaji
- J1.413.394A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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