ethyl 3-[(2,3-dimethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate
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![ethyl 3-[(2,3-dimethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9860de5430b746eabb7f16a60b310784.png "ethyl 3-[(2,3-dimethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate")
ethyl 3-[(2,3-dimethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate
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CAS No:
686736-57-2
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Formula:
C20H21N3O2S
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Chemical Name:
ethyl 3-[(2,3-dimethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate
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Synonyms:
3-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester;686736-57-2;ethyl 3-[(2,3-dimethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate;ethyl 3-{[(2,3-dimethylphenyl)carbamothioyl]amino}-1H-indole-2-carboxylate;SMR000237402;ChemDiv3_007860;MLS000696942;CHEMBL1608890;CHEBI:105199;HMS1495F06;HMS2251A21;ZINC8683911;AKOS024585464;MCULE-8778119783;IDI1_025770;AB00668904-01;Q27182903;F0588-0013;ethyl 3-(3-(2,3-dimethylphenyl)thioureido)-1H-indole-2-carboxylate
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CAS No:
Description
3-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester is an indolyl carboxylic acid.
ethyl 3-[(2,3-dimethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate Basic Attributes
367.5 g/mol
367.13544809 g/mol
Computed Properties
Molecular Weight:367.5
XLogP3:5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:367.13544809
Monoisotopic Mass:367.13544809
Topological Polar Surface Area:98.2
Heavy Atom Count:26
Complexity:515
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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