2-[(2-Anilino-2-Oxoethyl)Sulfanyl]Acetic Acid
Basic information
- CAS
70648-87-2- Standard SMILES
O=C(O)CSCC(=O)Nc1ccccc1- InChIKey
ABHZTPDZBMDHPI-UHFFFAOYSA-N- Molecular formula
- C10H11NO3S
- Average molar mass
- 225.27 g/mol
- Monoisotopic mass
- 225.04596439
Names & identifiers
- Preferred name
- 2-[(2-Anilino-2-Oxoethyl)Sulfanyl]Acetic Acid
- IUPAC
- 2-(2-anilino-2-oxoethyl)sulfanylacetic acid
- English name
- 2-[(2-Anilino-2-oxoethyl)sulfanyl]acetic acid
- Molecular formula
- C10H11NO3S
- Molecular weight
- 225.26
Names & synonyms
70648-87-22-[(2-Anilino-2-Oxoethyl)Sulfanyl]Acetic Acid2-((2-Oxo-2-(phenylamino)ethyl)thio)acetic acid[(2-anilino-2-oxoethyl)sulfanyl]acetic acid2-(2-anilino-2-oxoethyl)sulfanylacetic acid{[(phenylcarbamoyl)methyl]sulfanyl}acetic acidMFCD002022792-[(N-phenylcarbamoyl)methylthio]acetic acidPhenylcarbamoylmethylsulfanyl-acetic acid2-{[(phenylcarbamoyl)methyl]sulfanyl}acetic acid2-(2-anilino-2-oxo-ethyl)sulfanylacetic acidTimTec1_007208
Show more names
SALOR-INT L101346-1EA((2-ANILINO-2-OXOETHYL)THIO)ACETIC ACIDAcetic acid, 2-[[2-oxo-2-(phenylamino)ethyl]thio]-
Oprea1_102730Oprea1_333255MLS000123337CHEMBL1904304ABHZTPDZBMDHPI-UHFFFAOYSA-NHMS1554H14HMS2457A03HTS13368
Database identifiers
- CAS
70648-87-2- PubChem CID
- 737673
- ChEMBL
CHEMBL1904304- EC Number
- 120-767-6
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 106 · 106-108°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H317
- Precautionary statements
- 305 · P305+P351+P338-P280
- HazardClass
- IRRITANT
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H319-H317
- Precautionary statements
- P305+P351+P338-P280
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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