Ethyl 4-(phenylsulfanyl)benzoate
Product Specifications
- CAS
- 10129-07-4
- MF
- C15H14O2S
- Appearance
- yellow to off-white solid
- Synonym(s)
- Benzoic acid, 4-(phenylthio)-, ethyl ester
- Shipping
- ambient temperature
- Storage
- 2-8°C
Molecular formula C15H14O2S identifies a structure containing fifteen carbons, fourteen hydrogens, two oxygens, and one sulfur. For ethyl 4-(phenylsulfanyl)benzoate, that composition is associated with CAS 10129-07-4 and PubChem CID 15573904. Its SMILES is CCOC(=O)C1=CC=C(C=C1)SC2=CC=CC=C2, and its InChIKey is MWWSTEHPUCOQQV-UHFFFAOYSA-N.
The connectivity joins an ethyl benzoate unit to a second phenyl ring through sulfur. On the benzoate ring, the phenylsulfanyl substituent is located para to the ester carbonyl attachment, which is expressed by the locant 4 in the name. Both oxygen atoms belong to the ester portion: one is the carbonyl oxygen and the other connects the carbonyl carbon to the ethyl group. The sulfur atom bridges the two aromatic rings, and the official representation contains one neutral molecular component.
Several naming elements carry structural information here. “Ethyl” specifies the ester alkyl group, “benzoate” identifies the aromatic carboxylate framework, and “4-(phenylsulfanyl)” fixes both the sulfur linkage and its ring position. PubChem CID 15573904 preserves that full graph rather than merely the elemental total. CAS 10129-07-4, the formula, SMILES, and InChIKey together provide complementary checks: composition, explicit bonding, and a hashed structure reference. Their agreement supports an unambiguous match to ethyl 4-(phenylsulfanyl)benzoate rather than another diaryl sulfur compound or a differently substituted benzoate.