((4-Methoxybenzothioyl)thio)acetic acid
Basic information
- CAS
38204-31-8- Standard SMILES
COc1ccc(C(=S)SCC(=O)O)cc1- InChIKey
OYGMVZNPQIMDSA-UHFFFAOYSA-N- Molecular formula
- C10H10O3S2
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.00713652
Names & identifiers
- Preferred name
- ((4-Methoxybenzothioyl)thio)acetic acid
- IUPAC
- 2-(4-methoxybenzenecarbothioyl)sulfanylacetic acid
- English name
- RAFT dithiobenzoate
- Molecular formula
- C10H10O3S2
- Molecular weight
- 242.31
Names & synonyms
((4-Methoxybenzothioyl)thio)acetic acidRefChem:390205669-195-338204-31-82-(4-Methoxyphenylcarbonothioylthio)ethanoic acid2-((4-Methoxyphenylcarbonothioyl)thio)acetic acidAcetic acid, [[(4-methoxyphenyl)thioxomethyl]thio]-RAFT dithiobenzoate2-(4-methoxybenzenecarbothioyl)sulfanylacetic acidS-[p-Methoxythiobenzoyl]thioglycolic acidstarbld0019356SCHEMBL9416250
Show more names
(4-Methoxybenzothioylthio)ethanoic acid2-[(4-Methoxyphenylthioxomethyl)thio]ethanoic acidAcetic acid, 2-[[(4-methoxyphenyl)thioxomethyl]thio]-
DTXSID10343753OYGMVZNPQIMDSA-UHFFFAOYSA-NC10H10O3S2MFCD00451728AKOS024328410AS-86977CS-0133371[(4-Methoxybenzothioyl)sulfanyl]acetic acid #
Database identifiers
- CAS
38204-31-8- PubChem CID
- 592013
- DTXSID
DTXSID10343753- EC Number
- 669-195-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 122 · 122-125°C
- storage temp.
- 2 · 2-8°C
- form
- liquid
- Appearance
- Light yellow to yellow Solid
- InChI
- 1S/C10H10O3S2/c1-13-8-4-2-7(3-5-8)10(14)15-6-9(11)12/h2-5H,6H2,1H3,(H,11,12)
- InChIKey
- OYGMVZNPQIMDSA-UHFFFAOYSA-N
- SMILES
- COc1ccc(cc1)C(=S)SCC(O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- wgk
- 3
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- Storage Class
- 12 - Non Combustible Liquids
- Hazard statements
- H317
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P280
Chemistry & industry
Applications
UsesRAFT agent for controlled radical polymerization; especially suited for the polymerization of methacrylate and methacrylamide monomers. Chain Transfer Agent (CTA) with electron donating group to increase fragmentation and reduce polymerization time.
General DescriptionNeed help choosing the correct RAFT Agent Please consult the RAFT Agent to Monomer compatibility table.
Suppliers
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Related reactions
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Compound notes
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