2-{[(3-Nitrophenyl)sulfanyl]amino}ethan-1-ol
Basic information
- CAS
61076-27-5- Standard SMILES
O=[N+]([O-])c1cccc(SNCCO)c1- InChIKey
NVFBDBQCGAEBHJ-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3S
- Average molar mass
- 214.24 g/mol
- Monoisotopic mass
- 214.04121336
Names & identifiers
- Preferred name
- 2-{[(3-Nitrophenyl)sulfanyl]amino}ethan-1-ol
- IUPAC
- 2-[(3-nitrophenyl)sulfanylamino]ethanol
Names & synonyms
61076-27-5NSC2800592-{[(3-Nitrophenyl)sulfanyl]amino}ethan-1-olDTXSID10314029NSC-280059
Database identifiers
- CAS
61076-27-5- PubChem CID
- 322450
- DTXSID
DTXSID10314029
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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