AG-205/40776354
Basic information
- CAS
34757-99-8- Standard SMILES
COC(=O)c1ccccc1SNc1ccccc1- InChIKey
RXQDWALLLVIUHZ-UHFFFAOYSA-N- Molecular formula
- C14H13NO2S
- Average molar mass
- 259.33 g/mol
- Monoisotopic mass
- 259.06669983
Names & identifiers
- Preferred name
- AG-205/40776354
- IUPAC
- methyl 2-anilinosulfanylbenzoate
Names & synonyms
34757-99-8DTXSID20344534AG-205/40776354RefChem:317357DTXCID30295609Methyl 2-(anilinosulfanyl)benzoateBenzoic acid, 2-[(phenylamino)thio]-, methyl estermethyl 2-anilinosulfanylbenzoatemethyl 2-[(phenylamino)sulfanyl]benzoateRXQDWALLLVIUHZ-UHFFFAOYSA-Nmethyl 2-(phenylaminothio)benzoateSTK765826
Show more names
Methyl 2-(anilinosulfanyl)benzoate #AKOS001755015ST038389SR-01000534784SR-01000534784-12-(N-Phenyl-aminosulfanyl)-benzoic acid methyl ester
Database identifiers
- CAS
34757-99-8- PubChem CID
- 597657
- DTXSID
DTXSID20344534- Nikkaji
- J1.728.647A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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