Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate

HCID 237724

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Basic information

CAS: 7150-98-3
Standard SMILES: COC(=O)CCc1ccc(CSCCO)cc1
InChIKey: JKBNHNOKOMWBFS-UHFFFAOYSA-N
Molecular formula: C13H18O3S
Average molar mass: 254.35 g/mol
Monoisotopic mass: 254.09766561

Names & identifiers

Preferred name: Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate
IUPAC: methyl 3-[4-(2-hydroxyethylsulfanylmethyl)phenyl]propanoate
English name: methyl 3-[4-(2-hydroxyethylsulfanylmethyl)phenyl]propanoate
Molecular formula: C13H18O3S
Molecular weight: 254.35

Names & synonyms

7150-98-3methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoatemethyl 3-[4-(2-hydroxyethylsulfanylmethyl)phenyl]propanoateNSC41452DTXSID20285352NSC-41452p-(2-Hydroxy-aethyl-thiomethyl)-hydrozimtsaeure-methylesterBenzenepropanoic acid, 4-[[(2-hydroxyethyl)thio]methyl]-, methyl ester

Database identifiers

CAS: 7150-98-3
PubChem CID: 237724
DTXSID: DTXSID20285352

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 17
Formal charge: 0
Complexity: 213

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

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