m-Toluidine, alpha-(methylsulfinyl)-4-(octyloxy)-

HCID 201336

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Basic information

CAS: 5819-61-4
Standard SMILES: CCCCCCCCOc1ccc(N)cc1CS(C)=O
InChIKey: JYPBDKXGXTWJTH-UHFFFAOYSA-N
Molecular formula: C16H27NO2S
Average molar mass: 297.5 g/mol
Monoisotopic mass: 297.17625028

Names & identifiers

Preferred name: m-Toluidine, alpha-(methylsulfinyl)-4-(octyloxy)-
IUPAC: 3-(methylsulfinylmethyl)-4-octoxyaniline

Names & synonyms

5819-61-4m-Toluidine, alpha-(methylsulfinyl)-4-(octyloxy)-M & B 6916BRN 2741297alpha-(Methylsulfinyl)-4-(octyloxy)-m-toluidineRefChem:3515993-(methylsulfinylmethyl)-4-octoxyaniline3-((methylsulfinyl)methyl)-4-(octyloxy)anilinestarbld0011573orb1985586DTXSID10973751AKOS040753167

Show more names

T335283-[(Methanesulfinyl)methyl]-4-(octyloxy)aniline

Database identifiers

CAS: 5819-61-4
PubChem CID: 201336
DTXSID: DTXSID10973751

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 71.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 20
Formal charge: 0
Complexity: 273

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