CAS 103-04-8PubChem CID 59541
(Phenylthio)acetic acid
- IUPAC name
- 2-phenylsulfanylacetic acid
- Molecular formula
- C8H8O2S
- Molecular weight
- 168.21 g/mol
- Exact mass
- 168.02450067 Da
- XLogP3
- 1.9
- Topological polar surface area
- 62.6 Ų
- Hydrogen-bond donors
- 1
- Hydrogen-bond acceptors
- 3
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Thiophenoxyacetic acidPhenylthioglycolic acidPhenylmercaptoacetic acidCarboxymethyl phenyl sulfidePhenyl thioacetic acidNSC-9582RefChem:70203203-073-9
16 more reported names
2-(Phenylthio)acetic acid2-(Phenylsulfanyl)Acetic Acid(Phenylsulfanyl)acetic acidAcetic acid, (phenylthio)-S-Phenylthioglycolic acid(Phenylmercapto)acetic acidACETIC ACID, 2-(PHENYLTHIO)-Phenylsulfanyl-acetic acid(Phenylthio)aceticacidUNII-M12342PPGSNSC 9582EINECS 203-073-9AI3-26091(phenylthio) acetic acidS-Phenylmercaptoacetic Acidacetic acid, 2-phenylthio-
External database identifiers
- ChEMBL:CHEMBL459548
- EPA DTXSID:DTXSID4074431
- PubMed:21174397
- PubMed:16438494
- PubMed:16220924
- PubMed:15740906
- PubMed:11885856
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match59541
Attributed physical-property, hazard, environmental and use annotations.
- Physical Description: Beige powder with a stench; [Sigma-Aldrich MSDS] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Vapor Pressure: 0.000278 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| EMBL-EBI ChEBI | No exact record | 2026-08-31 |
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.