Acetic acid, (2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)phenoxy)-, 1,1-dimethylethyl ester
Basic information
- CAS
178870-47-8- Standard SMILES
Cc1occc1C(=S)Nc1ccc(Cl)c(OCC(=O)OC(C)(C)C)c1- InChIKey
MXWANWXCDBGYTQ-UHFFFAOYSA-N- Molecular formula
- C18H20ClNO4S
- Average molar mass
- 381.9 g/mol
- Monoisotopic mass
- 381.080157
Names & identifiers
- Preferred name
- Acetic acid, (2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)phenoxy)-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 2-[2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]phenoxy]acetate
Names & synonyms
D47H5R5SWU178870-47-8NSC648358Acetic acid, (2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)phenoxy)-, 1,1-dimethylethyl esterUNII-D47H5R5SWUNSC 648358NSC-648358(2-Chloro-5-((1-(2-methyl-furan-3-yl)-methanethioyl)-amino)-phenoxy)-acetic acid tert-butyl estertert-butyl 2-[2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]phenoxy]acetatetert-Butyl 2-chloro-5-((1-(2-methyl-furan-3-yl)methanethioyl)amino)phenoxy)acetate(2-Chloro-5-{[1-(2-methyl-furan-3-yl)-methanethioyl]-amino}-phenoxy)-acetic acid tert-butyl esterAcetic acid, [2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]phenoxy]-, 1,1-dimethylethyl ester
Show more names
CHEMBL430858DTXSID30170588tert-Butyl {2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]phenoxy}acetate1,1-Dimethylethyl 2-[2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]phenoxy]acetate
Database identifiers
- CAS
178870-47-8- PubChem CID
- 3000983
- DTXSID
DTXSID30170588- ChEMBL
CHEMBL430858- UNII
- D47H5R5SWU
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 482
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Compound notes
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