2-(2,3-Dichlorophenylthio)Acetic Acid
Basic information
- CAS
6390-19-8- Standard SMILES
O=C(O)CSc1cccc(Cl)c1Cl- InChIKey
NEXGUAUTGPGLCE-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O2S
- Average molar mass
- 237.1 g/mol
- Monoisotopic mass
- 235.946556
Names & identifiers
- Preferred name
- 2-(2,3-Dichlorophenylthio)Acetic Acid
- IUPAC
- 2-(2,3-dichlorophenyl)sulfanylacetic acid
- English name
- 2-(2,3-Dichlorophenylthio)acetic acid
- Molecular formula
- C8H6Cl2O2S
- Molecular weight
- 237.1
Names & synonyms
6390-19-82-(2,3-Dichlorophenylthio)Acetic Acid2-(2,3-dichlorophenyl)sulfanylacetic acid2-((2,3-Dichlorophenyl)thio)acetic acid2-[(2,3-dichlorophenyl)thio]acetic acidMaybridge3_000404HMS1432C08SCHEMBL6243529DTXSID30384209MFCD00052109CCG-235018IDI1_011791
Show more names
NEXGUAUTGPGLCE-UHFFFAOYSA-N(2,3-Dichlor-phenylmercapto)-essigsaeureAcetic acid, 2-[(2,3-dichlorophenyl)thio]-
SY403662[(2,3-Dichlorophenyl)sulfanyl]acetic acid
Database identifiers
- CAS
6390-19-8- PubChem CID
- 2801037
- DTXSID
DTXSID30384209
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- form
- solid
- InChI
- 1S/C8H6Cl2O2S/c9-5-2-1-3-6(8(5)10)13-4-7(11)12/h1-3H,4H2,(H,11,12)
- InChIKey
- NEXGUAUTGPGLCE-UHFFFAOYSA-N
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P332+P313-P337+P313-P362+P364
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P332+P313-P337+P313-P362+P364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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