Basic information
- CAS
80689-23-2- Standard SMILES
COc1cc(S)c(N)cc1Cl- InChIKey
RNMYPTFMLLSPJI-UHFFFAOYSA-N- Molecular formula
- C7H8ClNOS
- Average molar mass
- 189.66 g/mol
- Monoisotopic mass
- 189.0015127
Names & identifiers
- Preferred name
- 2-Amino-4-chloro-5-methoxybenzene-1-thiol
- IUPAC
- 2-amino-4-chloro-5-methoxybenzenethiol
Names & synonyms
80689-23-22-Amino-4-chloro-5-methoxybenzene-1-thiolDTXSID10603001RefChem:255541DTXCID50553758SCHEMBL9833335AKOS022855329
Database identifiers
- CAS
80689-23-2- PubChem CID
- 20150751
- DTXSID
DTXSID10603001
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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