Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine

HCID 201329

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5819-55-6
Standard SMILES: CCCCCCCCOc1ccc(N)cc1CSCC.CS(=O)(=O)O
InChIKey: ZVPUAUXVPYCBGM-UHFFFAOYSA-N
Molecular formula: C18H33NO4S2
Average molar mass: 391.6 g/mol
Monoisotopic mass: 391.18510054

Names & identifiers

Preferred name: Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine
IUPAC: 3-(ethylsulfanylmethyl)-4-octoxyaniline;methanesulfonic acid

Names & synonyms

5819-55-6M & B 5990alpha-(Ethylthio)-4-(octyloxy)-m-toluidine methanesulfonateDTXSID50206914m-Toluidine, alpha-(ethylthio)-4-(octyloxy)-, methanesulfonateRefChem:352362DTXCID801294053-(ethylsulfanylmethyl)-4-octoxyaniline;methanesulfonic acidorb1985642AKOS040753015T33313Methanesulfonic acid--3-[(ethylsulfanyl)methyl]-4-(octyloxy)aniline (1/1)

Database identifiers

CAS: 5819-55-6
PubChem CID: 201329
DTXSID: DTXSID50206914

Properties

Computed structural properties

Topological polar surface area: 123 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 11
Heavy atoms: 25
Formal charge: 0
Complexity: 318

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…