2-{[(4-Fluorophenyl)methyl]sulfanyl}acetic acid
Basic information
- CAS
65051-24-3- Standard SMILES
O=C(O)CSCc1ccc(F)cc1- InChIKey
ORCMGWGLMCFUIA-UHFFFAOYSA-N- Molecular formula
- C9H9FO2S
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.03072886
Names & identifiers
- Preferred name
- 2-{[(4-Fluorophenyl)methyl]sulfanyl}acetic acid
- IUPAC
- 2-[(4-fluorophenyl)methylsulfanyl]acetic acid
- English name
- (4-Fluorobenzyl)thio]acetic acid
- Molecular formula
- C9H9FO2S
- Molecular weight
- 200.23
Names & synonyms
2-{[(4-fluorophenyl)methyl]sulfanyl}acetic acid2-(((4-fluorophenyl)methyl)sulfanyl)acetic acidRefChem:446878996-919-8[(4-fluorobenzyl)thio]acetic acid65051-24-32-((4-Fluorobenzyl)thio)acetic acid2-[(4-fluorophenyl)methylsulfanyl]acetic acid[(4-fluorobenzyl)sulfanyl]acetic acid{[(4-fluorophenyl)methyl]sulfanyl}acetic acidMFCD03407477ChemDiv3_014329
Show more names
Acetic acid, 2-[[(4-fluorophenyl)methyl]thio]-
(4-FLUOROBENZYL)THIO]ACETIC ACIDSCHEMBL11260861HMS1513L07ALBB-0047062-((4-Fluorobenzyl)thio)aceticacidBBL000373STK288477AKOS000264400
Database identifiers
- CAS
65051-24-3- PubChem CID
- 776741
- EC Number
- 996-919-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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