Basic information
- Standard SMILES
O=C([O-])c1cccc2oc(=S)[nH]c12.[Li+]- InChIKey
ACHUWSDNNDNSDT-UHFFFAOYSA-M- Molecular formula
- C8H4LiNO3S
- Average molar mass
- 201.2 g/mol
Names & identifiers
- Preferred name
- Lithium 2-thioxo-2,3-dihydrobenzoxazole-4-carboxylate
- IUPAC
- lithium 2-sulfanylidene-3H-1,3-benzoxazole-4-carboxylate
Names & synonyms
SCHEMBL1005308ACHUWSDNNDNSDT-UHFFFAOYSA-Mlithium 2-thioxo-2,3-dihydrobenzoxazole-4-carboxylate
Database identifiers
- PubChem CID
- 86623720
Properties
Computed structural properties
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Related reactions
1 records
Compound notes
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