Basic information
- CAS
612478-40-7- Standard SMILES
CCCCOc1cc(Sc2ccc(C)cc2)c(OCCCC)cc1N.Cl- InChIKey
NZGIIYCNEGUMBD-UHFFFAOYSA-N- Molecular formula
- C21H30ClNO2S
- Average molar mass
- 396 g/mol
- Monoisotopic mass
- 395.1685781
Names & identifiers
- Preferred name
- 2,5-Dibutoxy-4-[(4-methylphenyl)sulfanyl]aniline--hydrogen chloride (1/1)
- IUPAC
- 2,5-dibutoxy-4-(4-methylphenyl)sulfanylaniline;hydrochloride
Names & synonyms
612478-40-72,5-Dibutoxy-4-[(4-methylphenyl)sulfanyl]aniline--hydrogen chloride (1/1)DTXSID00796810
Database identifiers
- CAS
612478-40-7- PubChem CID
- 71374009
- DTXSID
DTXSID00796810
Properties
Computed structural properties
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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