3-[(Phenylmethyl)thio]propanoic acid
CAS Registry Number®
2899-66-3
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CAS Name
3-[(Phenylmethyl)thio]propanoic acidMolecular Formula
C10H12O2SMolecular Mass
196.27Cite this Page
3-[(Phenylmethyl)thio]propanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2899-66-3 (retrieved ) (CAS RN: 2899-66-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
147 °C @ Press: 0.5 TorrMelting Point (2)
81-81.5 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C10H12O2S/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)
InChIKey
InChIKey=NDBNSZKHDMXOJE-UHFFFAOYSA-N
SMILES
C(SCCC(O)=O)C1=CC=CC=C1
Canonical SMILES
O=C(O)CCSCC=1C=CC=CC1
Other Names for this Substance
- Propanoic acid, 3-[(phenylmethyl)thio]-
- Propionic acid, 3-(benzylthio)-
- 3-[(Phenylmethyl)thio]propanoic acid
- β-(Benzylthio)propionic acid
- 3-(Benzylthio)propionic acid
