2-Ethylthio-2,2-diphenylacetic acid
Basic information
- CAS
16036-85-4- Standard SMILES
CCSC(C(=O)O)(c1ccccc1)c1ccccc1- InChIKey
NGHYFCDORXGZOD-UHFFFAOYSA-N- Molecular formula
- C16H16O2S
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.08710092
Names & identifiers
- Preferred name
- 2-Ethylthio-2,2-diphenylacetic acid
- IUPAC
- 2-ethylsulfanyl-2,2-diphenylacetic acid
- English name
- 2-Ethylthio-2,2-diphenylacetic acid
- Molecular formula
- C16H16O2S
- Molecular weight
- 272.36
Names & synonyms
2-Ethylthio-2,2-diphenylacetic acid16036-85-4DTXSID80352913RefChem:260720DTXCID50303977620-805-62-ethylsulfanyl-2,2-diphenylacetic acid2-(ethylsulfanyl)-2,2-diphenylacetic acid(ethylsulfanyl)(diphenyl)acetic acid2-ethylsulfanyl-2,2-diphenyl-acetic AcidSCHEMBL503313NGHYFCDORXGZOD-UHFFFAOYSA-N
Show more names
LABOTEST-BB LT00159925Benzeneacetic acid, α-(ethylthio)-α-phenyl-
STR04976(Ethylsulfanyl)di(phenyl)acetic acidMFCD00011552SBB057324(ethylsulfanyl) (diphenyl)acetic acidAKOS0243074782-(Ethylthio)-2,2-diphenylacetic acid2-Ethylthio-2,2-diphenylacetic acid, 99%
Database identifiers
- CAS
16036-85-4- PubChem CID
- 736040
- DTXSID
DTXSID80352913- EC Number
- 620-805-6
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 127 · 127-129 °C(lit.)
- Boiling point
- 391.1 · 391.1±30.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- pka
- 3.22 · 3.22±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- 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
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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