Thioglycolic acid anilide
Basic information
- CAS
4822-44-0- Standard SMILES
O=C(CS)Nc1ccccc1- InChIKey
DLVKRCGYGJZXFK-UHFFFAOYSA-N- Molecular formula
- C8H9NOS
- Average molar mass
- 167.23 g/mol
- Monoisotopic mass
- 167.04048508
Names & identifiers
- Preferred name
- Thioglycolic acid anilide
- IUPAC
- N-phenyl-2-sulfanylacetamide
- English name
- 2-Mercaptoacetanilide
- Molecular formula
- C8H9NOS
- Molecular weight
- 167.23
Names & synonyms
4822-44-02-Mercaptoacetanilide2-Mercapto-N-phenylacetamideThioglycolanilideThioglycolic acid anilideAcetamide, 2-mercapto-N-phenyl-Acetanilide, 2-mercapto-N-Phenyl-2-mercaptoacetamidealpha-MercaptoacetanilideUSAF EK-6583.alpha.-MercaptoacetanilideNSC 2126
Show more names
WLN: SH1VMRAKOS B029700BUTTPARK 45\07-85IFLAB-BB F0482-0001THIOGLYCOLYLANILIDETIMTEC-BB SBB008339OMEGA-THIOACETANILIDE
N-PHENYLMERCAPTOACETAMIDEDTXSID6048672ACETANILIDE, alpha-MERCAPTO-WB53BH5RKNEINECS 225-398-5BRN 2208086AI3-23887NSC-2126
Database identifiers
- CAS
4822-44-0- PubChem CID
- 10382
- DTXSID
DTXSID6048672- ChEMBL
CHEMBL1993867- UNII
- WB53BH5RKN
- EC Number
- 225-398-5
- Nikkaji
- J55.338G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 30.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Melting point
- 110.75 °C · 110.75°C
- Density
- 1.1786 · 1.1786 (rough estimate)
- refractive index
- 1.565 · 1.5650 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 53 BH5RKN · WB53BH5RKN
- EPA Substance Registry System
- 2 · Acetamide, 2-mercapto-N-phenyl- (4822-44-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H317-H302
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
- 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]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H319-H317-H302
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, 2-mercapto-N-phenyl-: INACTIVE
Applications
UsesN-Phenylmercaptoacetamide is a usfulbuilding block for compounds that can inhibit indoleamine-2,3-dioxygenase 1 (IDO1) inhibitors.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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