3-Methyl-4-sulfanylidene-1,3-benzoxazin-2-one
Basic information
- CAS
56580-26-8- Standard SMILES
Cn1c(=O)oc2ccccc2c1=S- InChIKey
HOCSLQLXGJBJFR-UHFFFAOYSA-N- Molecular formula
- C9H7NO2S
- Average molar mass
- 193.22 g/mol
- Monoisotopic mass
- 193.01974964
Names & identifiers
- Preferred name
- 3-Methyl-4-sulfanylidene-1,3-benzoxazin-2-one
- IUPAC
- 3-methyl-4-sulfanylidene-1,3-benzoxazin-2-one
Names & synonyms
NSC22715256580-26-8DTXSID30310427NSC-2271523-Methyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one
Database identifiers
- CAS
56580-26-8- PubChem CID
- 313314
- DTXSID
DTXSID30310427
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 254
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Compound notes
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