o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride
Basic information
- CAS
102489-61-2- Standard SMILES
CC[NH+](CC)CCSCC(=O)Nc1ccccc1C.[Cl-]- InChIKey
XDYQRFIMJNNIMJ-UHFFFAOYSA-N- Molecular formula
- C15H25ClN2OS
- Average molar mass
- 316.9 g/mol
- Monoisotopic mass
- 316.1376123
Names & identifiers
- Preferred name
- o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride
- IUPAC
- diethyl-[2-[2-(2-methylanilino)-2-oxoethyl]sulfanylethyl]azanium chloride
Names & synonyms
102489-61-2C 49242-(2-(Diethylamino)ethyl)thio-o-acetotoluidide hydrochlorideo-ACETOTOLUIDIDE, 2-(2-(DIETHYLAMINO)ETHYL)THIO-, HYDROCHLORIDERefChem:366326diethyl-[2-[2-(2-methylanilino)-2-oxoethyl]sulfanylethyl]azanium;chlorideDIETHYL-[2-[(2-METHYLPHENYL)CARBAMOYLMETHYLSULFANYL]ETHYL]AZANIUM CHLO RIDE
Database identifiers
- CAS
102489-61-2- PubChem CID
- 59392
Properties
Computed structural properties
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…