Basic information
- CAS
15178-55-9- Standard SMILES
Nc1ccc(S)c(I)c1- InChIKey
YDPZYZVOMILTGU-UHFFFAOYSA-N- Molecular formula
- C6H6INS
- Average molar mass
- 251.09 g/mol
- Monoisotopic mass
- 250.92657
Names & identifiers
- Preferred name
- 4-Amino-2-iodobenzenethiol
- IUPAC
- 4-amino-2-iodobenzenethiol
Names & synonyms
4-amino-2-iodobenzenethiol4-Amino-2-iodobenzene-1-thiolDTXSID601311056AKOS01543844315178-55-9
Database identifiers
- CAS
15178-55-9- PubChem CID
- 66095652
- DTXSID
DTXSID601311056
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…