Ethanol, 2-((1-methyl-2-(phenylthio)ethyl)amino)-

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Basic information

CAS: 5877-16-7
Standard SMILES: CC(CSc1ccccc1)NCCO
InChIKey: ANSUFFQBQSMRFA-UHFFFAOYSA-N
Molecular formula: C11H17NOS
Average molar mass: 211.33 g/mol
Monoisotopic mass: 211.10308534

Names & identifiers

Preferred name: Ethanol, 2-((1-methyl-2-(phenylthio)ethyl)amino)-
IUPAC: 2-(1-phenylsulfanylpropan-2-ylamino)ethanol

Names & synonyms

5877-16-7ETHANOL, 2-((1-METHYL-2-(PHENYLTHIO)ETHYL)AMINO)-Ethanol, 2-[[1-methyl-2-(phenylthio)ethyl]amino]-RefChem:10844552-((1-Methyl-2-(phenylthio)ethyl)amino)ethanolDiethylamine, 2'-hydroxy-1-methyl-2-phenylthio-2-[[1-Methyl-2-(phenylthio)ethyl]amino]ethanol2-(1-phenylsulfanylpropan-2-ylamino)ethanolNSC 220064BRN 3050471NSC220064WLN: Q2MY1&1SR

Show more names

4-06-00-01552 (Beilstein Handbook Reference)DTXSID001381493NSC-220064

Database identifiers

CAS: 5877-16-7
PubChem CID: 22171
DTXSID: DTXSID001381493
Nikkaji: J49.844K

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 14
Formal charge: 0
Complexity: 137

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Compound notes

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