Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1)
Basic information
- CAS
105892-20-4- Standard SMILES
NCCO.O=C(O)CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
MNEKBQKPLOECLB-UHFFFAOYSA-N- Molecular formula
- C10H13N3O7S
- Average molar mass
- 319.29 g/mol
- Monoisotopic mass
- 319.04742094
Names & identifiers
- Preferred name
- Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1)
- IUPAC
- 2-aminoethanol;2-(2,4-dinitrophenyl)sulfanylacetic acid
- English name
- ((2,4-Dinitrophenyl)thio)acetic acid 2-aminoethanol (1:1)
- Molecular formula
- C8H6N2O6S.C2H7NO
- Molecular weight
- 319.293
Names & synonyms
105892-20-4Mono(2-hydroxyethyl)ammonium 2,4-dinitrophenylthioacetate((2,4-Dinitrophenyl)thio)acetic acid 2-aminoethanol (1:1)RefChem:3158942-aminoethanol;2-(2,4-dinitrophenyl)sulfanylacetic acidDTXSID10909813AKOS003290728[(2,4-Dinitrophenyl)sulfanyl]acetic acid--2-aminoethan-1-ol (1/1)
Database identifiers
- CAS
105892-20-4- PubChem CID
- 60054
- DTXSID
DTXSID10909813
Properties
Computed structural properties
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…