8-Thiocyanatoquinoline-5-sulfonic acid
Basic information
- CAS
18615-23-1- Standard SMILES
N#CSc1ccc(S(=O)(=O)O)c2cccnc12- InChIKey
CAMRZXWYBBXBEI-UHFFFAOYSA-N- Molecular formula
- C10H6N2O3S2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 265.9819844
Names & identifiers
- Preferred name
- 8-Thiocyanatoquinoline-5-sulfonic acid
- IUPAC
- 8-thiocyanatoquinoline-5-sulfonic acid
Names & synonyms
8-thiocyanatoquinoline-5-sulfonic acid18615-23-1NSC127170DTXSID70298972NSC-1271708-(Thiocyanato)quinoline-5-sulfonic acid
Database identifiers
- CAS
18615-23-1- PubChem CID
- 278071
- DTXSID
DTXSID70298972
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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