2-(4'-Methoxyphenyl)-2-methyl-1,3-dithiolane

HCID 38772

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Basic information

CAS: 41159-07-3
Standard SMILES: COc1ccc(C2(C)SCCS2)cc1
InChIKey: WUZOAFMBBSBHAQ-UHFFFAOYSA-N
Molecular formula: C11H14OS2
Average molar mass: 226.4 g/mol
Monoisotopic mass: 226.04860741

Names & identifiers

Preferred name: 2-(4'-Methoxyphenyl)-2-methyl-1,3-dithiolane
IUPAC: 2-(4-methoxyphenyl)-2-methyl-1,3-dithiolane

Names & synonyms

41159-07-31,3-DITHIOLANE, 2-(p-METHOXYPHENYL)-2-METHYL-DTXSID80194092RefChem:1061124DTXCID901165832-(4'-Methoxyphenyl)-2-methyl-1,3-dithiolane2-(4-methoxyphenyl)-2-methyl-1,3-dithiolane1,3-Dithiolane, 2-methyl-2-(p-methoxyphenyl)-2-(p-Methoxyphenyl)-2-methyl-1,3-dithiolane2-Methyl-2-(p-methoxyphenyl)-1,3-dithiolane2-(4-methoxyphenyl)-2-methyl-[1,3]dithiolane

Database identifiers

CAS: 41159-07-3
PubChem CID: 38772
DTXSID: DTXSID80194092
Nikkaji: J91.172K

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 59.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 182

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