Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2,2'-iminobisethanol (1:1)
Basic information
- CAS
105892-21-5- Standard SMILES
O=C(O)CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].OCCNCCO- InChIKey
JDRZWZDXRKISJZ-UHFFFAOYSA-N- Molecular formula
- C12H17N3O8S
- Average molar mass
- 363.35 g/mol
- Monoisotopic mass
- 363.07363568
Names & identifiers
- Preferred name
- Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2,2'-iminobisethanol (1:1)
- IUPAC
- 2-(2,4-dinitrophenyl)sulfanylacetic acid;2-(2-hydroxyethylamino)ethanol
- English name
- 2-(2,4-dinitrophenyl)sulfanylacetic acid, 2-(2-hydroxyethylamino)ethan ol
- Molecular formula
- C12H17N3O7S
- Molecular weight
- 347.34428
Names & synonyms
Bis(2-hydroxyethyl)ammonium 2,4-dinitrophenylthioacetate105892-21-5((2,4-Dinitrophenyl)thio)acetic acid 2,2'-iminobisethanol (1:1)RefChem:315893DTXSID70909814[(2,4-Dinitrophenyl)sulfanyl]acetic acid--2,2'-azanediyldi(ethan-1-ol) (1/1)2-(2,4-dinitrophenyl)sulfanylacetic acid, 2-(2-hydroxyethylamino)ethan ol
Database identifiers
- CAS
105892-21-5- PubChem CID
- 60056
- DTXSID
DTXSID70909814
Properties
Computed structural properties
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 354
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Compound notes
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