o-Acetotoluidide, 6'-chloro-2-(2-(dimethylamino)ethylthio)-, hydrochloride
Basic information
- CAS
100620-36-8- Standard SMILES
Cc1cccc(Cl)c1NC(=O)CSCC[NH+](C)C.[Cl-]- InChIKey
SUKKDJCCWYAAKN-UHFFFAOYSA-N- Molecular formula
- C13H20Cl2N2OS
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 322.0673398
Names & identifiers
- Preferred name
- o-Acetotoluidide, 6'-chloro-2-(2-(dimethylamino)ethylthio)-, hydrochloride
- IUPAC
- 2-[2-(2-chloro-6-methylanilino)-2-oxoethyl]sulfanylethyl-dimethylazanium chloride
Names & synonyms
C 54586'-Chloro-2-(2-(dimethylamino)ethylthio)-o-acetotoluidide hydrochlorideo-ACETOTOLUIDIDE, 6'-CHLORO-2-(2-(DIMETHYLAMINO)ETHYLTHIO)-, HYDROCHLORIDE100620-36-8RefChem:366344
Database identifiers
- CAS
100620-36-8- PubChem CID
- 57948
Properties
Computed structural properties
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 263
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Compound notes
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