ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate
Basic information
- CAS
64981-78-8- Standard SMILES
CCSC(=S)N(CC)c1nc2ccccc2o1- InChIKey
SUEFTOLVWFBEFX-UHFFFAOYSA-N- Molecular formula
- C12H14N2OS2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.05475542
Names & identifiers
- Preferred name
- ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate
- IUPAC
- ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate
Names & synonyms
64981-78-8ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioateNSC276317DTXSID70313730NSC-276317DS-002386Ethyl 1,3-benzoxazol-2-yl(ethyl)carbamodithioateN-benzooxazol-2-yl-n-ethyl-1-ethylsulfanyl-methanethioamide
Database identifiers
- CAS
64981-78-8- PubChem CID
- 321858
- DTXSID
DTXSID70313730
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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