![Ethyl 2-([(methylamino)carbothioyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/HBUmk34xfe5/structure.png?h=300&w=458 "Ethyl 2-([(methylamino)carbothioyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
| SpectraBase Compound ID | yvLgTs5Z5G |
|---|---|
| InChI | InChI=1S/C13H18N2O2S2/c1-3-17-12(16)10-8-6-4-5-7-9(8)19-11(10)15-13(18)14-2/h3-7H2,1-2H3,(H2,14,15,18) |
| InChIKey | PYUUHNXQIWPYLX-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C13H18N2O2S2 |
| Exact Mass | 298.08097 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HBUmk34xfe5 |
|---|---|
| Name | Ethyl 2-([(methylamino)carbothioyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| CAS Registry Number | 51486-13-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H18N2O2S2 |
| InChI | InChI=1S/C13H18N2O2S2/c1-3-17-12(16)10-8-6-4-5-7-9(8)19-11(10)15-13(18)14-2/h3-7H2,1-2H3,(H2,14,15,18) |
| InChIKey | PYUUHNXQIWPYLX-UHFFFAOYSA-N |
| Molecular Weight | 298.419 g/mol |
| SMILES | N(c1c(c2CCCCc2s1)C(=O)OCC)C(=S)NC |
| SPLASH | splash10-004i-2950000000-e61b9f50b107bac59566 |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 2-(methylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester 2-[[methylamino(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(methylamino)thioxomethyl]amino]-, ethyl ester Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(3-methylureido)-, ethyl ester Ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate BRN 1433547 |
| Wiley ID | 1426477 |