C 5501
Basic information
- CAS
95770-03-9- Standard SMILES
C[NH+](C)CCSCC(=O)Nc1ccccc1Cl.[Cl-]- InChIKey
RYDMPPQRLCHWJA-UHFFFAOYSA-N- Molecular formula
- C12H18Cl2N2OS
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 308.0516898
Names & identifiers
- Preferred name
- C 5501
- IUPAC
- 2-[2-(2-chloroanilino)-2-oxoethyl]sulfanylethyl-dimethylazanium chloride
Names & synonyms
C 55012'-Chloro-2-(2-(dimethylamino)ethylthio)acetanilide hydrochlorideACETANILIDE, 2'-CHLORO-2-(2-(DIMETHYLAMINO)ETHYLTHIO)-, HYDROCHLORIDE95770-03-9RefChem:331496
Database identifiers
- CAS
95770-03-9- PubChem CID
- 56967
Properties
Computed structural properties
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 239
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Compound notes
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