2-(2,4-Diaminophenyl)sulfanylethanol
Basic information
- CAS
96727-40-1- Standard SMILES
Nc1ccc(SCCO)c(N)c1- InChIKey
FZWDTRUZBPZIQN-UHFFFAOYSA-N- Molecular formula
- C8H12N2OS
- Average molar mass
- 184.26 g/mol
- Monoisotopic mass
- 184.06703418
Names & identifiers
- Preferred name
- 2-(2,4-Diaminophenyl)sulfanylethanol
- IUPAC
- 2-(2,4-diaminophenyl)sulfanylethanol
Names & synonyms
2-(2,4-diaminophenyl)sulfanylethanol96727-40-12-[(2,4-diaminophenyl)sulfanyl]ethan-1-olSCHEMBL1639198SCHEMBL29817890DTXSID10388523
Database identifiers
- CAS
96727-40-1- PubChem CID
- 3018985
- DTXSID
DTXSID10388523- Nikkaji
- J291.256B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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