N-(2,4-Dichloro-5-methoxyphenyl)ethanethioamide
Basic information
- CAS
65182-99-2- Standard SMILES
COc1cc(NC(C)=S)c(Cl)cc1Cl- InChIKey
KYFKOGSHSIHDEO-UHFFFAOYSA-N- Molecular formula
- C9H9Cl2NOS
- Average molar mass
- 250.14 g/mol
- Monoisotopic mass
- 248.9781905
Names & identifiers
- Preferred name
- N-(2,4-Dichloro-5-methoxyphenyl)ethanethioamide
- IUPAC
- N-(2,4-dichloro-5-methoxyphenyl)ethanethioamide
Names & synonyms
N-(2,4-Dichloro-5-methoxyphenyl)ethanethioamide65182-99-2DTXSID80495213
Database identifiers
- CAS
65182-99-2- PubChem CID
- 12377673
- DTXSID
DTXSID80495213
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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