Basic information
- CAS
100866-62-4- Standard SMILES
COC(=O)c1ccccc1Sc1ccccc1N- InChIKey
QXBFUIGOTAJIBQ-UHFFFAOYSA-N- Molecular formula
- C14H13NO2S
- Average molar mass
- 259.33 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[(2-aminophenyl)sulfanyl]benzoate
- IUPAC
- methyl 2-(2-aminophenyl)sulfanylbenzoate
Names & synonyms
Methyl 2-[(2-aminophenyl)sulfanyl]benzoate100866-62-4Methyl 2-((2-aminophenyl)sulfanyl)benzoateRefChem:813041111-952-2Methyl 2-(O-aminophenylthio)benzoatebenzoic acid,2-[(2-aminophenyl)thio]-,methyl esterSCHEMBL1340573methyl 2-[(2-aminophenyl)thio]benzoateDA-164142-(2-methoxycarbonylphenylsulfanyl)aniline2-(2-methoxycarbonyl-phenylsulfanyl)aniline
Show more names
Methyl 2-[(2-aminophenyl)sulfanyl]benzoate #EN300-25598168
Database identifiers
- CAS
100866-62-4- PubChem CID
- 614949
- EC Number
- 111-952-2
- Nikkaji
- J1.410.169A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
9 records
Compound notes
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