Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester

HCID 37285

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Basic information

CAS: 35859-10-0
Standard SMILES: Cc1ccc(SCC(=O)OC(C)CN(C)C)cc1
InChIKey: AXMZSRADCXGESH-UHFFFAOYSA-N
Molecular formula: C14H21NO2S
Average molar mass: 267.39 g/mol
Monoisotopic mass: 267.12930009

Names & identifiers

Preferred name: Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester
IUPAC: 1-(dimethylamino)propan-2-yl 2-(4-methylphenyl)sulfanylacetate

Names & synonyms

BRN 2278257(p-Tolylthio)acetic acid 2-(dimethylamino)-1-methylethyl ester35859-10-0ACETIC ACID, (p-TOLYLTHIO)-, 2-(DIMETHYLAMINO)-1-METHYLETHYL ESTERRefChem:316348DTXSID609572681-(dimethylamino)propan-2-yl [(4-methylphenyl)sulfanyl]acetate

Database identifiers

CAS: 35859-10-0
PubChem CID: 37285
DTXSID: DTXSID60957268

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 54.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 250

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