Basic information
- CAS
106636-56-0- Standard SMILES
O=C(O)CSc1c2ccccc2nc2ccc(Cl)cc12- InChIKey
KAMIHUYLAJEIII-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO2S
- Average molar mass
- 303.8 g/mol
- Monoisotopic mass
- 303.0120774
Names & identifiers
- Preferred name
- Acetic acid, ((2-chloro-9-acridinyl)thio)-
- IUPAC
- 2-(2-chloroacridin-9-yl)sulfanylacetic acid
Names & synonyms
((2-Chloro-9-acridinyl)thio)acetic acidACETIC ACID, ((2-CHLORO-9-ACRIDINYL)THIO)-106636-56-0DTXSID20147709RefChem:315911DTXCID3070200[(2-chloroacridin-9-yl)sulfanyl]acetic acid
Database identifiers
- CAS
106636-56-0- PubChem CID
- 60156
- DTXSID
DTXSID20147709
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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