Thioglycolic acid o-toluidide
Basic information
- CAS
36076-50-3- Standard SMILES
Cc1ccccc1NC(=O)CS- InChIKey
TVBOSLXNNWWFEN-UHFFFAOYSA-N- Molecular formula
- C9H11NOS
- Average molar mass
- 181.26 g/mol
- Monoisotopic mass
- 181.05613515
Names & identifiers
- Preferred name
- Thioglycolic acid o-toluidide
- IUPAC
- N-(2-methylphenyl)-2-sulfanylacetamide
Names & synonyms
Thioglycolic acid o-toluidideMethanethiol, o-tolylcarbamyl-USAF uctl-1768o-Acetotoluidide, 2-mercapto-2-Mercapto-N-(2-methylphenyl)acetamideAcetamide, 2-mercapto-N-(2-methylphenyl)-N-(o-Tolyl) mercaptoacetamide4GH0EQK3ZRNSC 162710BRN 2804095UNII-4GH0EQK3ZRNSC-162710
Show more names
DTXSID401896613-12-00-01888 (Beilstein Handbook Reference)2-MERCAPTO-N-O-TOLYLACETAMIDEN-O-TOLYL-2-MERCAPTOACETAMIDEN-O-METHYLPHENYL-2-MERCAPTOACETAMIDEACETAMIDE, 2-MERCAPTO-N-(o-TOLYL)-RefChem:189535DTXCID00112152
Database identifiers
- CAS
36076-50-3- PubChem CID
- 37364
- DTXSID
DTXSID40189661- ChEMBL
CHEMBL5178843- UNII
- 4GH0EQK3ZR
- Nikkaji
- J54.106K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 30.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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