Basic information
- CAS
87298-89-3- Standard SMILES
O=C(O)CSC=C(Cl)Cl.OCCN(CCO)CCO- InChIKey
DKQROXUCOSPLOZ-UHFFFAOYSA-N- Molecular formula
- C10H19Cl2NO5S
- Average molar mass
- 336.2 g/mol
- Monoisotopic mass
- 335.0360993
Names & identifiers
- Preferred name
- Acetic acid, ((2,2-dichlorovinyl)thio)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;2-(2,2-dichloroethenylsulfanyl)acetic acid
Names & synonyms
87298-89-3((2,2-Dichlorovinyl)thio)acetic acid 2,2',2''-nitrilotriethanol saltDTXSID30236259RefChem:315877DTXCID80158750[(2,2-Dichloroethen-1-yl)sulfanyl]acetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
Database identifiers
- CAS
87298-89-3- PubChem CID
- 55673
- DTXSID
DTXSID30236259
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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