3-Ethyl-4-sulfanylidene-1,3-benzoxazin-2-one
Basic information
- CAS
4611-56-7- Standard SMILES
CCn1c(=O)oc2ccccc2c1=S- InChIKey
UJQVBUYKNTYXSG-UHFFFAOYSA-N- Molecular formula
- C10H9NO2S
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.0353997
Names & identifiers
- Preferred name
- 3-Ethyl-4-sulfanylidene-1,3-benzoxazin-2-one
- IUPAC
- 3-ethyl-4-sulfanylidene-1,3-benzoxazin-2-one
Names & synonyms
NSC2271534611-56-7DTXSID90310428NSC-2271533-Ethyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one
Database identifiers
- CAS
4611-56-7- PubChem CID
- 313315
- DTXSID
DTXSID90310428
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 267
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Compound notes
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