2-[[[4-(1,1-Dimethylethyl)phenyl]methyl]thio]acetic acid
CAS Registry Number®
17874-35-0
CAS Name
2-[[[4-(1,1-Dimethylethyl)phenyl]methyl]thio]acetic acidMolecular Formula
C13H18O2SMolecular Mass
238.35Cite this Page
2-[[[4-(1,1-Dimethylethyl)phenyl]methyl]thio]acetic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=17874-35-0 (retrieved ) (CAS RN: 17874-35-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
75 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C13H18O2S/c1-13(2,3)11-6-4-10(5-7-11)8-16-9-12(14)15/h4-7H,8-9H2,1-3H3,(H,14,15)
InChIKey
InChIKey=JMMFEXQBJKCYBD-UHFFFAOYSA-N
SMILES
C(C)(C)(C)C1=CC=C(CSCC(O)=O)C=C1
Canonical SMILES
O=C(O)CSCC1=CC=C(C=C1)C(C)(C)C
Other Names for this Substance
- Acetic acid, 2-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-
- Acetic acid, [(p-tert-butylbenzyl)thio]-
- Acetic acid, [[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-
- 2-[[[4-(1,1-Dimethylethyl)phenyl]methyl]thio]acetic acid
- ((4-tert-Butylbenzyl)sulfanyl)acetic acid
